N-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide

C16H17ClN4O2 — CID 86857183

IUPACN-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2nc(C(C)C)ncc2Cl)c1C(N)=O
InChIInChI=1S/C16H17ClN4O2/c1-8(2)15-19-7-10(17)13(21-15)16(23)20-11-6-4-5-9(3)12(11)14(18)22/h4-8H,1-3H3,(H2,18,22)(H,20,23)
InChIKeyNZIKSDXMWZULLP-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.91
Rot. Bonds4

About N-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide

N-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 86857183) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID86857183
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC NameN-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2nc(C(C)C)ncc2Cl)c1C(N)=O
InChIInChI=1S/C16H17ClN4O2/c1-8(2)15-19-7-10(17)13(21-15)16(23)20-11-6-4-5-9(3)12(11)14(18)22/h4-8H,1-3H3,(H2,18,22)(H,20,23)
InChIKeyNZIKSDXMWZULLP-UHFFFAOYSA-N
XLogP2.91
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 136579417
N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 62022282
N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 119420652
5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459161
N-(2-bromo-6-fluorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 103741296
N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119420651
5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide
CID 47466541
5-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 78928205
5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide
CID 55032941
N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide
CID 62047155
5-chloro-N-[4-[(S)-methylsulfinyl]phenyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 96565908
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide (CID 86857183) is N-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2nc(C(C)C)ncc2Cl)c1C(N)=O.
What is the InChIKey of N-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is NZIKSDXMWZULLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-8(2)15-19-7-10(17)13(21-15)16(23)20-11-6-4-5-9(3)12(11)14(18)22/h4-8H,1-3H3,(H2,18,22)(H,20,23).
What are the key properties of N-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
N-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 86857183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).