N-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide

C15H16ClN3OS — CID 20913823

IUPACN-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
SMILESCCCc1nc(SC)ncc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H16ClN3OS/c1-3-6-12-10(9-17-15(19-12)21-2)14(20)18-13-8-5-4-7-11(13)16/h4-5,7-9H,3,6H2,1-2H3,(H,18,20)
InChIKeyJZHFHDWWMAFTGB-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.06
Rot. Bonds5

About N-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide

N-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide (PubChem CID 20913823) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
PubChem CID20913823
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC NameN-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
SMILESCCCc1nc(SC)ncc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H16ClN3OS/c1-3-6-12-10(9-17-15(19-12)21-2)14(20)18-13-8-5-4-7-11(13)16/h4-5,7-9H,3,6H2,1-2H3,(H,18,20)
InChIKeyJZHFHDWWMAFTGB-UHFFFAOYSA-N
XLogP4.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
CID 46276390
N-(2-bromophenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide
CID 18858793
N-[(4-methylphenyl)methyl]-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
CID 20913847
N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913797
N-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 138521421
4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913801
5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 43052974
4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide
CID 81226564
4-ethyl-2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyrimidine-5-carboxamide
CID 20913799
N-(2-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374242
N-(2-chlorophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236485
N-(2-chloro-6-methylphenyl)-4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 118164542

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide (CID 20913823) is N-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide is CCCc1nc(SC)ncc1C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide?
The InChIKey is JZHFHDWWMAFTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-3-6-12-10(9-17-15(19-12)21-2)14(20)18-13-8-5-4-7-11(13)16/h4-5,7-9H,3,6H2,1-2H3,(H,18,20).
What are the key properties of N-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide?
N-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide has a molecular weight of 321.83 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 20913823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).