N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide

C20H19ClN4O2 — CID 109348753

IUPACN-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)NCc3ccc(Cl)cc3)ncn2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-27-17-8-4-15(5-9-17)11-22-19-10-18(24-13-25-19)20(26)23-12-14-2-6-16(21)7-3-14/h2-10,13H,11-12H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyZDSIPAQZYXCPER-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.68
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109348753) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109348753
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)NCc3ccc(Cl)cc3)ncn2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-27-17-8-4-15(5-9-17)11-22-19-10-18(24-13-25-19)20(26)23-12-14-2-6-16(21)7-3-14/h2-10,13H,11-12H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyZDSIPAQZYXCPER-UHFFFAOYSA-N
XLogP3.68
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]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-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348666
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348377
N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347267
N-(4-chloro-2-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349100
6-[2-(3-chlorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349168
6-(butylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109339838
6-(1,3-benzodioxol-5-ylmethylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349139
4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211857
6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109344701
6-(3,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349236
6-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109348269
6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109348330

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide (CID 109348753) is N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide is COc1ccc(CNc2cc(C(=O)NCc3ccc(Cl)cc3)ncn2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is ZDSIPAQZYXCPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-27-17-8-4-15(5-9-17)11-22-19-10-18(24-13-25-19)20(26)23-12-14-2-6-16(21)7-3-14/h2-10,13H,11-12H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109348753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).