4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide

C11H16ClN3O2 — CID 114581686

IUPAC4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide
SMILESCc1nc(Cl)cc(=O)n1CCCC(=O)N(C)C
InChIInChI=1S/C11H16ClN3O2/c1-8-13-9(12)7-11(17)15(8)6-4-5-10(16)14(2)3/h7H,4-6H2,1-3H3
InChIKeyMNYMHDMWEZFEDX-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.07
Rot. Bonds4

About 4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide

4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide (PubChem CID 114581686) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide
PubChem CID114581686
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide
SMILESCc1nc(Cl)cc(=O)n1CCCC(=O)N(C)C
InChIInChI=1S/C11H16ClN3O2/c1-8-13-9(12)7-11(17)15(8)6-4-5-10(16)14(2)3/h7H,4-6H2,1-3H3
InChIKeyMNYMHDMWEZFEDX-UHFFFAOYSA-N
XLogP1.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-2-methyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114581717
6-Chloro-3-(3-fluoropropyl)-2-methylpyrimidin-4-one
CID 114581954
6-Chloro-2-ethyl-3-(2-fluoroethyl)pyrimidin-4-one
CID 114584391
6-Chloro-2-ethyl-3-(3-fluoropropyl)pyrimidin-4-one
CID 114584452
6-Chloro-3-ethyl-2-methylpyrimidin-4-one
CID 114581811
6-Chloro-2,3-diethylpyrimidin-4-one
CID 114584343
6-Chloro-2-ethenyl-3-ethylpyrimidin-4-one
CID 118490029
6-Chloro-2-methyl-3-pentan-2-ylpyrimidin-4-one
CID 107885721
6-Chloro-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
CID 113604486
4-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide
CID 113604551
4-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylbutanamide
CID 113604601
6-Chloro-2-methyl-3-(2-methylbutyl)pyrimidin-4-one
CID 114581593

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide?
The IUPAC name of 4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide (CID 114581686) is 4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide is Cc1nc(Cl)cc(=O)n1CCCC(=O)N(C)C.
What is the InChIKey of 4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide?
The InChIKey is MNYMHDMWEZFEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-8-13-9(12)7-11(17)15(8)6-4-5-10(16)14(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide?
4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide has a molecular weight of 257.72 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide is sourced from PubChem (CID 114581686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).