N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide

C21H21ClN4O — CID 109256254

IUPACN-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1ccc(CNc2ncc(C(=O)NCCc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C21H21ClN4O/c1-15-5-7-17(8-6-15)12-24-21-25-13-18(14-26-21)20(27)23-10-9-16-3-2-4-19(22)11-16/h2-8,11,13-14H,9-10,12H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyJJMCTLUANXHDAX-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.02
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide

N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109256254) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109256254
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1ccc(CNc2ncc(C(=O)NCCc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C21H21ClN4O/c1-15-5-7-17(8-6-15)12-24-21-25-13-18(14-26-21)20(27)23-10-9-16-3-2-4-19(22)11-16/h2-8,11,13-14H,9-10,12H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyJJMCTLUANXHDAX-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

N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232662
2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256149
2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109264775
N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109256088
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256093
N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247539
N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256521
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109264764
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945758
2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
CID 109262350
2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259442
N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109264772

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide (CID 109256254) is N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide is Cc1ccc(CNc2ncc(C(=O)NCCc3cccc(Cl)c3)cn2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is JJMCTLUANXHDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-15-5-7-17(8-6-15)12-24-21-25-13-18(14-26-21)20(27)23-10-9-16-3-2-4-19(22)11-16/h2-8,11,13-14H,9-10,12H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-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-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109256254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).