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CAS No 945950-37-8

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CHEMISTRY

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Also known as: 945950-37-8, Mfcd13619883, 7h-pyrrolo[2,3-d]pyrimidine,4-methyl-, Rz4a845pgq, Schembl192778, Qwiahmvnmonkcu-uhfffaoysa-n

Molecular Formula

C₇H₇N₃

Molecular Weight

133.15 g/mol

InChI Key

QWIAHMVNMONKCU-UHFFFAOYSA-N

FDA UNII

RZ4A845PGQ

CAS No 945950-37-8

1 2D Structure

CAS No 945950-37-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-methyl-7H-pyrrolo[2,3-d]pyrimidine

2.1.2 InChI

InChI=1S/C7H7N3/c1-5-6-2-3-8-7(6)10-4-9-5/h2-4H,1H3,(H,8,9,10)

2.1.3 InChI Key

QWIAHMVNMONKCU-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

RZ4A845PGQ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 945950-37-8

2. Mfcd13619883

3. 7h-pyrrolo[2,3-d]pyrimidine,4-methyl-

4. Rz4a845pgq

5. Schembl192778

6. Qwiahmvnmonkcu-uhfffaoysa-n

7. Amy33857

8. Akos006356475

9. Pb13597

10. As-34799

11. Sy097663

12. 7h-pyrrolo[2,3-d]pyrimidine, 4-methyl-

13. Db-358437

14. Cs-0050807

15. A859323

2.4 Create Date

2011-05-03

3 Chemical and Physical Properties

Molecular Formula	C₇H₇N₃
Molecular Weight	133.15 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	41.6
Heavy Atom Count	10
Formal Charge	0
Complexity	126
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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