2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide

C15H17ClN4O — CID 109294953

IUPAC2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN4O/c1-2-8-17-14(21)13-7-9-18-15(20-13)19-10-11-3-5-12(16)6-4-11/h3-7,9H,2,8,10H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyGQQLPPAALKIREJ-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.88
Rot. Bonds6

About 2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide

2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide (PubChem CID 109294953) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
PubChem CID109294953
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN4O/c1-2-8-17-14(21)13-7-9-18-15(20-13)19-10-11-3-5-12(16)6-4-11/h3-7,9H,2,8,10H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyGQQLPPAALKIREJ-UHFFFAOYSA-N
XLogP2.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(pentylamino)pyrimidine-4-carboxamide
CID 109306058
2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295039
N-[(4-chlorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306057
N-butyl-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109296526
2-[(4-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304314
N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109304200
2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109309788
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308380
N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295966
2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109295042
N-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide
CID 109306052
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide
CID 109294765

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide (CID 109294953) is 2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1ccnc(NCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide?
The InChIKey is GQQLPPAALKIREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-2-8-17-14(21)13-7-9-18-15(20-13)19-10-11-3-5-12(16)6-4-11/h3-7,9H,2,8,10H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide?
2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109294953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).