N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide

C18H19N3O4S — CID 2908119

IUPACN-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)NC2c2cccs2)c1
InChIInChI=1S/C18H19N3O4S/c1-10-15(16(21-18(23)19-10)14-5-4-8-26-14)17(22)20-12-9-11(24-2)6-7-13(12)25-3/h4-9,16H,1-3H3,(H,20,22)(H2,19,21,23)
InChIKeyKCKCAKZXUWPRBW-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.03
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 2908119) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID2908119
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)NC2c2cccs2)c1
InChIInChI=1S/C18H19N3O4S/c1-10-15(16(21-18(23)19-10)14-5-4-8-26-14)17(22)20-12-9-11(24-2)6-7-13(12)25-3/h4-9,16H,1-3H3,(H,20,22)(H2,19,21,23)
InChIKeyKCKCAKZXUWPRBW-UHFFFAOYSA-N
XLogP3.03
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 2908119) is N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)NC2c2cccs2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is KCKCAKZXUWPRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-10-15(16(21-18(23)19-10)14-5-4-8-26-14)17(22)20-12-9-11(24-2)6-7-13(12)25-3/h4-9,16H,1-3H3,(H,20,22)(H2,19,21,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 2908119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).