N-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide

C22H24N4O3 — CID 109327859

IUPACN-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc(NCc3ccc(C)cc3)n2)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-14-5-7-16(8-6-14)13-23-22-24-15(2)11-19(26-22)21(27)25-18-10-9-17(28-3)12-20(18)29-4/h5-12H,13H2,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyNZFQGHYAUUOJDH-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.98
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide

N-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109327859) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109327859
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc(NCc3ccc(C)cc3)n2)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-14-5-7-16(8-6-14)13-23-22-24-15(2)11-19(26-22)21(27)25-18-10-9-17(28-3)12-20(18)29-4/h5-12H,13H2,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyNZFQGHYAUUOJDH-UHFFFAOYSA-N
XLogP3.98
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329264
N-(2,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109324958
N-(2,4-dimethoxyphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333139
N-(2,4-dimethoxyphenyl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188808
N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256303
2-[(4-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329006
N-(2-ethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329270
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329277
N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329281
2-(benzylamino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109327159
2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553225
N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318998

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109327859) is N-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(C)nc(NCc3ccc(C)cc3)n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is NZFQGHYAUUOJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-5-7-16(8-6-14)13-23-22-24-15(2)11-19(26-22)21(27)25-18-10-9-17(28-3)12-20(18)29-4/h5-12H,13H2,1-4H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109327859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).