N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide

C21H21ClN4O — CID 109304200

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1cccc(CNc2nccc(C(=O)NCCc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C21H21ClN4O/c1-15-3-2-4-17(13-15)14-25-21-24-12-10-19(26-21)20(27)23-11-9-16-5-7-18(22)8-6-16/h2-8,10,12-13H,9,11,14H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyRXWFSPGBVGNVEH-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.02
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109304200) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109304200
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1cccc(CNc2nccc(C(=O)NCCc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C21H21ClN4O/c1-15-3-2-4-17(13-15)14-25-21-24-12-10-19(26-21)20(27)23-11-9-16-5-7-18(22)8-6-16/h2-8,10,12-13H,9,11,14H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyRXWFSPGBVGNVEH-UHFFFAOYSA-N
XLogP4.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304314
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313131
2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109309788
2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109294953
2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109309818
N-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109304225
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308380
N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295966
2-[2-(4-chlorophenyl)ethylamino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304065
2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109306340
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311741
2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305390

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109304200) is N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide is Cc1cccc(CNc2nccc(C(=O)NCCc3ccc(Cl)cc3)n2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is RXWFSPGBVGNVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-15-3-2-4-17(13-15)14-25-21-24-12-10-19(26-21)20(27)23-11-9-16-5-7-18(22)8-6-16/h2-8,10,12-13H,9,11,14H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109304200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).