N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C14H14ClN3O4 — CID 110864497

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(C)[nH]c2=O)c(OC)cc1Cl
InChIInChI=1S/C14H14ClN3O4/c1-7-16-6-8(13(19)17-7)14(20)18-10-5-11(21-2)9(15)4-12(10)22-3/h4-6H,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyULLMTTRKPLLZMI-UHFFFAOYSA-N
MW323.74 g/mol
LogP2.00
Rot. Bonds4

About N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110864497) has the molecular formula C14H14ClN3O4 and a molecular weight of 323.74 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110864497
Molecular FormulaC14H14ClN3O4
Molecular Weight323.74 g/mol
Exact Mass323.07
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(C)[nH]c2=O)c(OC)cc1Cl
InChIInChI=1S/C14H14ClN3O4/c1-7-16-6-8(13(19)17-7)14(20)18-10-5-11(21-2)9(15)4-12(10)22-3/h4-6H,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyULLMTTRKPLLZMI-UHFFFAOYSA-N
XLogP2.00
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648532
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
N-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110857421
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 103336862
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715402
N-(4-chloro-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825951
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786212
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248650
5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43337149
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 26069017
N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 78813029

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 110864497) is N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is COc1cc(NC(=O)c2cnc(C)[nH]c2=O)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ULLMTTRKPLLZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4/c1-7-16-6-8(13(19)17-7)14(20)18-10-5-11(21-2)9(15)4-12(10)22-3/h4-6H,1-3H3,(H,18,20)(H,16,17,19).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 323.74 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110864497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).