2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide

C16H19ClN4O — CID 109246522

IUPAC2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H19ClN4O/c1-2-8-18-15(22)13-10-20-16(21-11-13)19-9-7-12-3-5-14(17)6-4-12/h3-6,10-11H,2,7-9H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyIXJRNZGMOFEVJV-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.92
Rot. Bonds7

About 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide

2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide (PubChem CID 109246522) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
PubChem CID109246522
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H19ClN4O/c1-2-8-18-15(22)13-10-20-16(21-11-13)19-9-7-12-3-5-14(17)6-4-12/h3-6,10-11H,2,7-9H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyIXJRNZGMOFEVJV-UHFFFAOYSA-N
XLogP2.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-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

2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
CID 109246506
2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
CID 109261431
2-[2-(4-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247312
2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109261462
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide
CID 109165043
N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255694
2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246508
N-[2-(4-chlorophenyl)ethyl]-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257024
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109261471
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576
N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109261399

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide (CID 109246522) is 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide?
The InChIKey is IXJRNZGMOFEVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-2-8-18-15(22)13-10-20-16(21-11-13)19-9-7-12-3-5-14(17)6-4-12/h3-6,10-11H,2,7-9H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide?
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 109246522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).