N-(cyclopropylmethylsulfonyl)-2-phenylpyrimidine-5-carboxamide

C15H15N3O3S — CID 95908512

IUPACN-(cyclopropylmethylsulfonyl)-2-phenylpyrimidine-5-carboxamide
SMILESO=C(NS(=O)(=O)CC1CC1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C15H15N3O3S/c19-15(18-22(20,21)10-11-6-7-11)13-8-16-14(17-9-13)12-4-2-1-3-5-12/h1-5,8-9,11H,6-7,10H2,(H,18,19)
InChIKeyKPFVSNVICZAKAQ-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.61
Rot. Bonds5

About N-(cyclopropylmethylsulfonyl)-2-phenylpyrimidine-5-carboxamide

N-(cyclopropylmethylsulfonyl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 95908512) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(cyclopropylmethylsulfonyl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethylsulfonyl)-2-phenylpyrimidine-5-carboxamide
PubChem CID95908512
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(cyclopropylmethylsulfonyl)-2-phenylpyrimidine-5-carboxamide
SMILESO=C(NS(=O)(=O)CC1CC1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C15H15N3O3S/c19-15(18-22(20,21)10-11-6-7-11)13-8-16-14(17-9-13)12-4-2-1-3-5-12/h1-5,8-9,11H,6-7,10H2,(H,18,19)
InChIKeyKPFVSNVICZAKAQ-UHFFFAOYSA-N
XLogP1.61
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Phenylpyrimidine-5-carbaldehyde
CID 820135
2-Phenyl-pyrimidine-5-carboxylic acid benzylamide
CID 16043211
7-(Methylthio)-2-phenylpyrimido(4,5-d)pyrimidin-4(3H)-one
CID 135406757
N-Benzyl-2-[(Z)-Iminomethyl]pyrimidine-5-Carboxamide
CID 117072118
US9868729, Example 96
CID 58014908
N-(cyclopropylmethyl)-2-phenylpyrimidine-5-carboxamide
CID 47400405
N-benzyl-2-methoxypyrimidine-5-carboxamide
CID 49664414
N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpyrimidine-5-carboxamide
CID 51094915
N-[2-(methanesulfonamido)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 53537629
N-(2-acetamidoethyl)-2-phenylpyrimidine-5-carboxamide
CID 53537827
N-[2-(cyclopropanecarbonylamino)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 53537910
N-[2-(ethylsulfonylamino)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 53537992

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethylsulfonyl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(cyclopropylmethylsulfonyl)-2-phenylpyrimidine-5-carboxamide (CID 95908512) is N-(cyclopropylmethylsulfonyl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethylsulfonyl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethylsulfonyl)-2-phenylpyrimidine-5-carboxamide is O=C(NS(=O)(=O)CC1CC1)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-(cyclopropylmethylsulfonyl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is KPFVSNVICZAKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-15(18-22(20,21)10-11-6-7-11)13-8-16-14(17-9-13)12-4-2-1-3-5-12/h1-5,8-9,11H,6-7,10H2,(H,18,19).
What are the key properties of N-(cyclopropylmethylsulfonyl)-2-phenylpyrimidine-5-carboxamide?
N-(cyclopropylmethylsulfonyl)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethylsulfonyl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 95908512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).