N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide

C22H24N4O2 — CID 109370385

IUPACN-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(NCc2ccc(OC)cc2)nc(C)n1)c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-4-26(18-8-6-5-7-9-18)22(27)20-14-21(25-16(2)24-20)23-15-17-10-12-19(28-3)13-11-17/h5-14H,4,15H2,1-3H3,(H,23,24,25)
InChIKeyLIDVBKJIIFGFGC-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.07
Rot. Bonds7

About N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide

N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109370385) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109370385
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(NCc2ccc(OC)cc2)nc(C)n1)c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-4-26(18-8-6-5-7-9-18)22(27)20-14-21(25-16(2)24-20)23-15-17-10-12-19(28-3)13-11-17/h5-14H,4,15H2,1-3H3,(H,23,24,25)
InChIKeyLIDVBKJIIFGFGC-UHFFFAOYSA-N
XLogP4.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368973
6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109370374
N-ethyl-2-methyl-6-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368555
6-[(4-methoxyphenyl)methylamino]-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109370368
N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
CID 109362029
N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373544
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
6-(cyclopropylamino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109360869
N-[(2-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370274
N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369650
6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112849522
N-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371076

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide (CID 109370385) is N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide is CCN(C(=O)c1cc(NCc2ccc(OC)cc2)nc(C)n1)c1ccccc1.
What is the InChIKey of N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is LIDVBKJIIFGFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-26(18-8-6-5-7-9-18)22(27)20-14-21(25-16(2)24-20)23-15-17-10-12-19(28-3)13-11-17/h5-14H,4,15H2,1-3H3,(H,23,24,25).
What are the key properties of N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide?
N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109370385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).