4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide

C14H15ClN4O — CID 83567253

IUPAC4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(-c2ccccc2Cl)nc1N
InChIInChI=1S/C14H15ClN4O/c1-2-7-17-14(20)10-8-18-13(19-12(10)16)9-5-3-4-6-11(9)15/h3-6,8H,2,7H2,1H3,(H,17,20)(H2,16,18,19)
InChIKeyLOXNOJXSMCHVGB-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.52
Rot. Bonds4

About 4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide

4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide (PubChem CID 83567253) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide
PubChem CID83567253
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(-c2ccccc2Cl)nc1N
InChIInChI=1S/C14H15ClN4O/c1-2-7-17-14(20)10-8-18-13(19-12(10)16)9-5-3-4-6-11(9)15/h3-6,8H,2,7H2,1H3,(H,17,20)(H2,16,18,19)
InChIKeyLOXNOJXSMCHVGB-UHFFFAOYSA-N
XLogP2.52
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-2-(2-chlorophenyl)-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

4-amino-2-(2-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 83567123
4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 83567104
4-amino-N-butyl-2-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 83567272
4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567475
4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide
CID 83567065
4-amino-2-(2-fluorophenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 83567180
4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide
CID 83567296
2-amino-3-chloro-N-propylbenzamide
CID 80503191
4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide
CID 83567067
4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567464
6-amino-5-chloro-N-propylpyridine-3-carboxamide
CID 62156037
4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
CID 83567087

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide (CID 83567253) is 4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(-c2ccccc2Cl)nc1N.
What is the InChIKey of 4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide?
The InChIKey is LOXNOJXSMCHVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-2-7-17-14(20)10-8-18-13(19-12(10)16)9-5-3-4-6-11(9)15/h3-6,8H,2,7H2,1H3,(H,17,20)(H2,16,18,19).
What are the key properties of 4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide?
4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 83567253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).