N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide

C20H19ClN4O2 — CID 109329281

IUPACN-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2nc(C)cc(C(=O)Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-13-11-18(19(26)24-16-7-5-15(21)6-8-16)25-20(23-13)22-12-14-3-9-17(27-2)10-4-14/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyBLYWOFWLHKVIIM-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.31
Rot. Bonds6

About N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide

N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109329281) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
PubChem CID109329281
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2nc(C)cc(C(=O)Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-13-11-18(19(26)24-16-7-5-15(21)6-8-16)25-20(23-13)22-12-14-3-9-17(27-2)10-4-14/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyBLYWOFWLHKVIIM-UHFFFAOYSA-N
XLogP4.31
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329005
2-(benzylamino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109327159
N-(4-chlorophenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327842
2-[(4-chlorophenyl)methylamino]-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109328995
N-(4-chlorophenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327627
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329277
2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319479
2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109328692
2-[(4-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329006
2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109330842
2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553225
2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109331701

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide (CID 109329281) is N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide is COc1ccc(CNc2nc(C)cc(C(=O)Nc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is BLYWOFWLHKVIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13-11-18(19(26)24-16-7-5-15(21)6-8-16)25-20(23-13)22-12-14-3-9-17(27-2)10-4-14/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109329281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).