6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide

C18H23ClN4O — CID 109369963

IUPAC6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(NCc2ccccc2Cl)nc(C)n1
InChIInChI=1S/C18H23ClN4O/c1-3-4-7-10-20-18(24)16-11-17(23-13(2)22-16)21-12-14-8-5-6-9-15(14)19/h5-6,8-9,11H,3-4,7,10,12H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyLYERWECYTLCXHR-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.97
Rot. Bonds8

About 6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide

6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide (PubChem CID 109369963) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
PubChem CID109369963
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(NCc2ccccc2Cl)nc(C)n1
InChIInChI=1S/C18H23ClN4O/c1-3-4-7-10-20-18(24)16-11-17(23-13(2)22-16)21-12-14-8-5-6-9-15(14)19/h5-6,8-9,11H,3-4,7,10,12H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyLYERWECYTLCXHR-UHFFFAOYSA-N
XLogP3.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-6-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109340028
N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846733
N-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366003
N-(2,6-dichlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846794
N-(3-methoxypropyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109365172
6-[(2-chlorophenyl)methylamino]-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109369971
N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109361756
6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 109366606
6-(2-tert-butylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846836
2-[(2-chlorophenyl)methylamino]-N-pentylpyrimidine-5-carboxamide
CID 109257503
6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369995
N-(3-chloro-4-methylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368566

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide?
The IUPAC name of 6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide (CID 109369963) is 6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide is CCCCCNC(=O)c1cc(NCc2ccccc2Cl)nc(C)n1.
What is the InChIKey of 6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide?
The InChIKey is LYERWECYTLCXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-3-4-7-10-20-18(24)16-11-17(23-13(2)22-16)21-12-14-8-5-6-9-15(14)19/h5-6,8-9,11H,3-4,7,10,12H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide?
6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109369963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).