3-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylthiophene-2-carboxamide

C10H8Cl2N4OS — CID 86634004

IUPAC3-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C10H8Cl2N4OS/c1-13-9(17)7-6(2-3-18-7)15-8-5(11)4-14-10(12)16-8/h2-4H,1H3,(H,13,17)(H,14,15,16)
InChIKeyHKWWKDVYDWOGJA-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.95
Rot. Bonds3

About 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylthiophene-2-carboxamide

3-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylthiophene-2-carboxamide (PubChem CID 86634004) has the molecular formula C10H8Cl2N4OS and a molecular weight of 303.17 g/mol. Its IUPAC name is 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylthiophene-2-carboxamide
PubChem CID86634004
Molecular FormulaC10H8Cl2N4OS
Molecular Weight303.17 g/mol
Exact Mass301.98
IUPAC Name3-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C10H8Cl2N4OS/c1-13-9(17)7-6(2-3-18-7)15-8-5(11)4-14-10(12)16-8/h2-4H,1H3,(H,13,17)(H,14,15,16)
InChIKeyHKWWKDVYDWOGJA-UHFFFAOYSA-N
XLogP2.95
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide
CID 86633984
methyl 2-[(2,5-dichloropyrimidin-4-yl)amino]thiophene-3-carboxylate
CID 168866713
3-bromo-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide
CID 86634074
2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane
CID 160740331
2-[(2,5-dichloropyrimidin-4-yl)amino]benzoic acid
CID 71501536
2-chloro-N-methyl-4-(2-methylanilino)pyrimidine-5-carboxamide
CID 118462020
2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide
CID 170754075
ethyl 4-[(2,5-dichloropyrimidin-4-yl)amino]thiophene-3-carboxylate
CID 170553588
2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine
CID 167216736
N-[6-[(2,5-dichloropyrimidin-4-yl)amino]quinoxalin-5-yl]acetamide
CID 165394599
3-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]thiophene-2-carboxylic acid
CID 175696484
3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine
CID 87330243

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylthiophene-2-carboxamide (CID 86634004) is 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylthiophene-2-carboxamide is CNC(=O)c1sccc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylthiophene-2-carboxamide?
The InChIKey is HKWWKDVYDWOGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4OS/c1-13-9(17)7-6(2-3-18-7)15-8-5(11)4-14-10(12)16-8/h2-4H,1H3,(H,13,17)(H,14,15,16).
What are the key properties of 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylthiophene-2-carboxamide?
3-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylthiophene-2-carboxamide has a molecular weight of 303.17 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 86634004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).