2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide

C15H17N3OS — CID 53080175

IUPAC2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCSc1ccc(CNC(=O)c2cnc(C)nc2C)cc1
InChIInChI=1S/C15H17N3OS/c1-10-14(9-16-11(2)18-10)15(19)17-8-12-4-6-13(20-3)7-5-12/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyUSTVNECMCRRBGM-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.75
Rot. Bonds4

About 2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide

2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 53080175) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID53080175
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCSc1ccc(CNC(=O)c2cnc(C)nc2C)cc1
InChIInChI=1S/C15H17N3OS/c1-10-14(9-16-11(2)18-10)15(19)17-8-12-4-6-13(20-3)7-5-12/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyUSTVNECMCRRBGM-UHFFFAOYSA-N
XLogP2.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 53007174
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
4-methyl-2-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]pyrimidine-5-carboxamide
CID 20913598
2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 1487920
2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 53080162
N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784452
3-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86833408
N-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830096
4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505324
2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 47380839
N-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide
CID 110082218
N-[(4-aminophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830418

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide (CID 53080175) is 2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide is CSc1ccc(CNC(=O)c2cnc(C)nc2C)cc1.
What is the InChIKey of 2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is USTVNECMCRRBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-14(9-16-11(2)18-10)15(19)17-8-12-4-6-13(20-3)7-5-12/h4-7,9H,8H2,1-3H3,(H,17,19).
What are the key properties of 2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide?
2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 53080175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).