N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide

C22H24N4O2 — CID 109329593

IUPACN-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(C)nc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C22H24N4O2/c1-4-26(15-17-8-6-5-7-9-17)21(27)20-14-16(2)23-22(25-20)24-18-10-12-19(28-3)13-11-18/h5-14H,4,15H2,1-3H3,(H,23,24,25)
InChIKeyARNWCSWGKLFOBT-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.20
Rot. Bonds7

About N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide

N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109329593) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109329593
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(C)nc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C22H24N4O2/c1-4-26(15-17-8-6-5-7-9-17)21(27)20-14-16(2)23-22(25-20)24-18-10-12-19(28-3)13-11-18/h5-14H,4,15H2,1-3H3,(H,23,24,25)
InChIKeyARNWCSWGKLFOBT-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(2-chloroanilino)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109329583
N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332354
4-N-benzyl-4-N-ethyl-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918940
N-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109328957
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109332388
N-benzyl-2-(4-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109327296
N-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109329547
2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109332429
2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331159
N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide
CID 109190758
2-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329366

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide (CID 109329593) is N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(C)nc(Nc2ccc(OC)cc2)n1.
What is the InChIKey of N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is ARNWCSWGKLFOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-26(15-17-8-6-5-7-9-17)21(27)20-14-16(2)23-22(25-20)24-18-10-12-19(28-3)13-11-18/h5-14H,4,15H2,1-3H3,(H,23,24,25).
What are the key properties of N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109329593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).