4-anilino-N-benzyl-6-chloro-2-methylsulfanylpyrimidine-5-carboxamide

C19H17ClN4OS — CID 15979579

IUPAC4-anilino-N-benzyl-6-chloro-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(Cl)c(C(=O)NCc2ccccc2)c(Nc2ccccc2)n1
InChIInChI=1S/C19H17ClN4OS/c1-26-19-23-16(20)15(17(24-19)22-14-10-6-3-7-11-14)18(25)21-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyAGQHRUVFIIEZEG-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.53
Rot. Bonds6

About 4-anilino-N-benzyl-6-chloro-2-methylsulfanylpyrimidine-5-carboxamide

4-anilino-N-benzyl-6-chloro-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 15979579) has the molecular formula C19H17ClN4OS and a molecular weight of 384.89 g/mol. Its IUPAC name is 4-anilino-N-benzyl-6-chloro-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-anilino-N-benzyl-6-chloro-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID15979579
Molecular FormulaC19H17ClN4OS
Molecular Weight384.89 g/mol
Exact Mass384.08
IUPAC Name4-anilino-N-benzyl-6-chloro-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(Cl)c(C(=O)NCc2ccccc2)c(Nc2ccccc2)n1
InChIInChI=1S/C19H17ClN4OS/c1-26-19-23-16(20)15(17(24-19)22-14-10-6-3-7-11-14)18(25)21-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyAGQHRUVFIIEZEG-UHFFFAOYSA-N
XLogP4.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-chloro-2-methylsulfanyl-6-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 15979683
N-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide
CID 628678
2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802
(4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol
CID 10681947
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879
N-benzyl-2-methylsulfanylbenzamide
CID 966900
N-benzyl-1,4-dimethylimidazole-2-carboxamide
CID 145376007
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305662
5-(2-anilinopyrimidin-4-yl)-N-benzyl-2-methylbenzamide
CID 10023555
N-[(4-anilinophenyl)methyl]acetamide
CID 11853463

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-benzyl-6-chloro-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 4-anilino-N-benzyl-6-chloro-2-methylsulfanylpyrimidine-5-carboxamide (CID 15979579) is 4-anilino-N-benzyl-6-chloro-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-anilino-N-benzyl-6-chloro-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 4-anilino-N-benzyl-6-chloro-2-methylsulfanylpyrimidine-5-carboxamide is CSc1nc(Cl)c(C(=O)NCc2ccccc2)c(Nc2ccccc2)n1.
What is the InChIKey of 4-anilino-N-benzyl-6-chloro-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is AGQHRUVFIIEZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4OS/c1-26-19-23-16(20)15(17(24-19)22-14-10-6-3-7-11-14)18(25)21-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 4-anilino-N-benzyl-6-chloro-2-methylsulfanylpyrimidine-5-carboxamide?
4-anilino-N-benzyl-6-chloro-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 384.89 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-benzyl-6-chloro-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 15979579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).