N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide

C11H10ClN3O2S — CID 114053499

IUPACN-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide
SMILESCOc1cc(Cl)nc(NC(=O)c2sccc2C)n1
InChIInChI=1S/C11H10ClN3O2S/c1-6-3-4-18-9(6)10(16)15-11-13-7(12)5-8(14-11)17-2/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeyIUWPVCVEYAMQKO-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.76
Rot. Bonds3

About N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide

N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide (PubChem CID 114053499) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide
PubChem CID114053499
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC NameN-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide
SMILESCOc1cc(Cl)nc(NC(=O)c2sccc2C)n1
InChIInChI=1S/C11H10ClN3O2S/c1-6-3-4-18-9(6)10(16)15-11-13-7(12)5-8(14-11)17-2/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeyIUWPVCVEYAMQKO-UHFFFAOYSA-N
XLogP2.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide
CID 133286237
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide
CID 114053555
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 114052912
4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide
CID 114053534
N-(5-chloropyrazin-2-yl)-3-methylthiophene-2-carboxamide
CID 104964205
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthiophene-2-carboxamide
CID 51098448
6-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridazine-3-carboxamide
CID 107605634
N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide
CID 114053516
methyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 78808645
2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazole-4-carboxamide
CID 107625791
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide
CID 107603438

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide (CID 114053499) is N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide is COc1cc(Cl)nc(NC(=O)c2sccc2C)n1.
What is the InChIKey of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is IUWPVCVEYAMQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-6-3-4-18-9(6)10(16)15-11-13-7(12)5-8(14-11)17-2/h3-5H,1-2H3,(H,13,14,15,16).
What are the key properties of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide?
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 283.74 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 114053499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).