N-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide

C19H16Cl2N4O — CID 109347616

IUPACN-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCC(Nc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ncn1)c1ccccc1
InChIInChI=1S/C19H16Cl2N4O/c1-12(13-5-3-2-4-6-13)24-18-10-17(22-11-23-18)19(26)25-16-8-7-14(20)9-15(16)21/h2-12H,1H3,(H,25,26)(H,22,23,24)
InChIKeyVZIWVLQFQHWUMY-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.21
Rot. Bonds5

About N-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide

N-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109347616) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109347616
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC NameN-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCC(Nc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ncn1)c1ccccc1
InChIInChI=1S/C19H16Cl2N4O/c1-12(13-5-3-2-4-6-13)24-18-10-17(22-11-23-18)19(26)25-16-8-7-14(20)9-15(16)21/h2-12H,1H3,(H,25,26)(H,22,23,24)
InChIKeyVZIWVLQFQHWUMY-UHFFFAOYSA-N
XLogP5.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-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-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347562
N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347581
N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347558
ethyl 2-[[6-(1-phenylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109347622
6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355880
N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338660
2,4-dichloro-N-(1-phenylethyl)aniline
CID 43082155
6-(2,4-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358773
N-[2-(dimethylamino)ethyl]-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109344241
N-(2,4-dichlorophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201663
1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109345995
6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109346550

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide (CID 109347616) is N-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide is CC(Nc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ncn1)c1ccccc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is VZIWVLQFQHWUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-12(13-5-3-2-4-6-13)24-18-10-17(22-11-23-18)19(26)25-16-8-7-14(20)9-15(16)21/h2-12H,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
N-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109347616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).