N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide

C21H21ClN4O — CID 109256521

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
SMILESCC(Nc1ncc(C(=O)NCCc2cccc(Cl)c2)cn1)c1ccccc1
InChIInChI=1S/C21H21ClN4O/c1-15(17-7-3-2-4-8-17)26-21-24-13-18(14-25-21)20(27)23-11-10-16-6-5-9-19(22)12-16/h2-9,12-15H,10-11H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyFSCJAOZIWLPGDN-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.28
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide

N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 109256521) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID109256521
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
SMILESCC(Nc1ncc(C(=O)NCCc2cccc(Cl)c2)cn1)c1ccccc1
InChIInChI=1S/C21H21ClN4O/c1-15(17-7-3-2-4-8-17)26-21-24-13-18(14-25-21)20(27)23-11-10-16-6-5-9-19(22)12-16/h2-9,12-15H,10-11H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyFSCJAOZIWLPGDN-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210794
2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259442
N-[(3-methylphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109255805
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109264764
2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109264775
N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256254
N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247539
N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109248455
N-[2-(3-chlorophenyl)ethyl]-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109264776
N-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179720
N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109264772
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide (CID 109256521) is N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide is CC(Nc1ncc(C(=O)NCCc2cccc(Cl)c2)cn1)c1ccccc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is FSCJAOZIWLPGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-15(17-7-3-2-4-8-17)26-21-24-13-18(14-25-21)20(27)23-11-10-16-6-5-9-19(22)12-16/h2-9,12-15H,10-11H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).