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

C22H24N4O2 — CID 109329270

IUPACN-(2-ethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(C)nc(NCc2ccc(OC)cc2)n1
InChIInChI=1S/C22H24N4O2/c1-4-17-7-5-6-8-19(17)25-21(27)20-13-15(2)24-22(26-20)23-14-16-9-11-18(28-3)12-10-16/h5-13H,4,14H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyGRWHQCYFHJLDSP-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.22
Rot. Bonds7

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

N-(2-ethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109329270) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
PubChem CID109329270
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(2-ethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(C)nc(NCc2ccc(OC)cc2)n1
InChIInChI=1S/C22H24N4O2/c1-4-17-7-5-6-8-19(17)25-21(27)20-13-15(2)24-22(26-20)23-14-16-9-11-18(28-3)12-10-16/h5-13H,4,14H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyGRWHQCYFHJLDSP-UHFFFAOYSA-N
XLogP4.22
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327829
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329277
N-(2-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327397
2-(benzylamino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109327159
N-(2,4-dimethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329264
N-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327859
N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329140
N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329281
N-(2-ethylphenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326839
2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336231
2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553225
2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109328692

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide (CID 109329270) is N-(2-ethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1cc(C)nc(NCc2ccc(OC)cc2)n1.
What is the InChIKey of N-(2-ethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is GRWHQCYFHJLDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-17-7-5-6-8-19(17)25-21(27)20-13-15(2)24-22(26-20)23-14-16-9-11-18(28-3)12-10-16/h5-13H,4,14H2,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(2-ethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
N-(2-ethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109329270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).