1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide

2.1.2 InChI

InChI=1S/C13H21N3O2/c1-5-6-7-11-14-9(2)10(13(18)15-11)8-12(17)16(3)4/h5-8H2,1-4H3,(H,14,15,18)

2.1.3 InChI Key

OAMDXZTUOHORAO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCC1=NC(=C(C(=O)N1)CC(=O)N(C)C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1315478-13-7

2. 2-(2-butyl-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)-n,n-dimethylacetamide

3. Schembl2227651

4. 2-butyl-1,6-dihydro-n,n,4-trimethyl-6-oxo-5-pyrimidineacetamide

5. Zb1795

6. F19473

7. A854820

8. 2-(2-butyl-1,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)-n-methylacetamide

2.3 Create Date

2019-01-17

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₁N₃O₂
Molecular Weight	251.32 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	61.8
Heavy Atom Count	18
Formal Charge	0
Complexity	409
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

CAS 1315478-13-7