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CAS 412003-95-3

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CHEMISTRY

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Also known as: 412003-95-3, 2,4-dimethyl-5-pyrimidinol, 5-pyrimidinol, 2,4-dimethyl- (9ci), 2,4-dimethylpyrimidine-5-ol, 5-pyrimidinol, 2,4-dimethyl-, Schembl2118864

Molecular Formula

C₆H₈N₂O

Molecular Weight

124.14 g/mol

InChI Key

NJRAXBYJSOFRQV-UHFFFAOYSA-N

CAS 412003-95-3

1 2D Structure

CAS 412003-95-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,4-dimethylpyrimidin-5-ol

2.1.2 InChI

InChI=1S/C6H8N2O/c1-4-6(9)3-7-5(2)8-4/h3,9H,1-2H3

2.1.3 InChI Key

NJRAXBYJSOFRQV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NC(=NC=C1O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 412003-95-3

2. 2,4-dimethyl-5-pyrimidinol

3. 5-pyrimidinol, 2,4-dimethyl- (9ci)

4. 2,4-dimethylpyrimidine-5-ol

5. 5-pyrimidinol, 2,4-dimethyl-

6. Schembl2118864

7. Dtxsid50663881

8. 5-hydroxy-2,4-dimethylpyrimidine

9. 5-pyrimidinol,2,4-dimethyl-(9ci)

10. Mfcd18072447

11. Zinc39052229

12. Akos015999655

13. Cs-w005733

14. Sb13148

15. Am803873

16. Ds-17897

17. Db-070148

18. Ft-0729799

19. J3.610.407d

20. A873116

2.3 Create Date

2010-03-30

3 Chemical and Physical Properties

Molecular Formula	C₆H₈N₂O
Molecular Weight	124.14 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	124.063662883 g/mol
Monoisotopic Mass	124.063662883 g/mol
Topological Polar Surface Area	46 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	97.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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