6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide

C17H21ClN4O — CID 109348691

IUPAC6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(NCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C17H21ClN4O/c1-2-3-4-9-19-17(23)15-10-16(22-12-21-15)20-11-13-5-7-14(18)8-6-13/h5-8,10,12H,2-4,9,11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyFVJBUYWYSDVHCY-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.66
Rot. Bonds8

About 6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide

6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide (PubChem CID 109348691) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide
PubChem CID109348691
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(NCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C17H21ClN4O/c1-2-3-4-9-19-17(23)15-10-16(22-12-21-15)20-11-13-5-7-14(18)8-6-13/h5-8,10,12H,2-4,9,11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyFVJBUYWYSDVHCY-UHFFFAOYSA-N
XLogP3.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348666
N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347267
6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide
CID 109338491
6-(1,3-benzodioxol-5-ylmethylamino)-N-pentylpyrimidine-4-carboxamide
CID 109349254
N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348753
N-butyl-6-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109340028
6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109348749
6-[2-(4-chlorophenyl)ethylamino]-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109352329
6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109348697
6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109344114
6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109348751
N-[(4-chlorophenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109348771

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide (CID 109348691) is 6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide is CCCCCNC(=O)c1cc(NCc2ccc(Cl)cc2)ncn1.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide?
The InChIKey is FVJBUYWYSDVHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-2-3-4-9-19-17(23)15-10-16(22-12-21-15)20-11-13-5-7-14(18)8-6-13/h5-8,10,12H,2-4,9,11H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide?
6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109348691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).