2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide

C23H26N4O2 — CID 109328220

IUPAC2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(C)nc(N(C)Cc3ccccc3)n2)c1
InChIInChI=1S/C23H26N4O2/c1-17-14-21(22(28)24-13-12-18-10-7-11-20(15-18)29-3)26-23(25-17)27(2)16-19-8-5-4-6-9-19/h4-11,14-15H,12-13,16H2,1-3H3,(H,24,28)
InChIKeyQHMRNFWVUFUVHC-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.40
Rot. Bonds8

About 2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide

2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109328220) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109328220
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(C)nc(N(C)Cc3ccccc3)n2)c1
InChIInChI=1S/C23H26N4O2/c1-17-14-21(22(28)24-13-12-18-10-7-11-20(15-18)29-3)26-23(25-17)27(2)16-19-8-5-4-6-9-19/h4-11,14-15H,12-13,16H2,1-3H3,(H,24,28)
InChIKeyQHMRNFWVUFUVHC-UHFFFAOYSA-N
XLogP3.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328240
2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328218
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109327090
5-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109189231
2-[benzyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328208
N-[2-(3-methoxyphenyl)ethyl]-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109328008
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331076
2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319475
2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide
CID 109098650
2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331064
2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331067
2-[(3-methoxyphenyl)methyl-methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546784

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide (CID 109328220) is 2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide is COc1cccc(CCNC(=O)c2cc(C)nc(N(C)Cc3ccccc3)n2)c1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is QHMRNFWVUFUVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-14-21(22(28)24-13-12-18-10-7-11-20(15-18)29-3)26-23(25-17)27(2)16-19-8-5-4-6-9-19/h4-11,14-15H,12-13,16H2,1-3H3,(H,24,28).
What are the key properties of 2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109328220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).