N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide

C15H15ClN4O2 — CID 136579417

IUPACN-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)Nc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C15H15ClN4O2/c1-8(2)14-18-7-11(16)12(20-14)15(22)19-10-5-3-9(4-6-10)13(17)21/h3-8H,1-2H3,(H2,17,21)(H,19,22)
InChIKeyFLGPTJPAXPXBLW-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.60
Rot. Bonds4

About N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide

N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 136579417) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID136579417
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC NameN-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)Nc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C15H15ClN4O2/c1-8(2)14-18-7-11(16)12(20-14)15(22)19-10-5-3-9(4-6-10)13(17)21/h3-8H,1-2H3,(H2,17,21)(H,19,22)
InChIKeyFLGPTJPAXPXBLW-UHFFFAOYSA-N
XLogP2.60
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 96565908
N-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 86857183
2-[4-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-2-fluorophenyl]acetic acid
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5-chloro-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-propan-2-ylpyrimidine-4-carboxamide
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5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide
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N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide
CID 62047155
N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 62022282
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
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CID 102674171

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide (CID 136579417) is N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(C(N)=O)cc2)n1.
What is the InChIKey of N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is FLGPTJPAXPXBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-8(2)14-18-7-11(16)12(20-14)15(22)19-10-5-3-9(4-6-10)13(17)21/h3-8H,1-2H3,(H2,17,21)(H,19,22).
What are the key properties of N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 136579417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).