N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide

C13H13N3O2S — CID 2226358

IUPACN-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(SC)nc1
InChIInChI=1S/C13H13N3O2S/c1-18-11-6-4-3-5-10(11)16-12(17)9-7-14-13(19-2)15-8-9/h3-8H,1-2H3,(H,16,17)
InChIKeyGLNAJBWAENUMJN-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.46
Rot. Bonds4

About N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide

N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 2226358) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID2226358
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(SC)nc1
InChIInChI=1S/C13H13N3O2S/c1-18-11-6-4-3-5-10(11)16-12(17)9-7-14-13(19-2)15-8-9/h3-8H,1-2H3,(H,16,17)
InChIKeyGLNAJBWAENUMJN-UHFFFAOYSA-N
XLogP2.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664
N-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18148000
5-[(2-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121191
N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247975
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260301
2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109263226
2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268879
N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268603
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109257738
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269429
1-[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]-3-(2-methoxyphenyl)urea
CID 142058599

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide (CID 2226358) is N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide is COc1ccccc1NC(=O)c1cnc(SC)nc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is GLNAJBWAENUMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-18-11-6-4-3-5-10(11)16-12(17)9-7-14-13(19-2)15-8-9/h3-8H,1-2H3,(H,16,17).
What are the key properties of N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 2226358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).