2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide

C22H24N4O2 — CID 109327090

IUPAC2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(C)nc(NCc3ccccc3)n2)c1
InChIInChI=1S/C22H24N4O2/c1-16-13-20(26-22(25-16)24-15-18-7-4-3-5-8-18)21(27)23-12-11-17-9-6-10-19(14-17)28-2/h3-10,13-14H,11-12,15H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyYIWOXFWFDAVCAS-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.38
Rot. Bonds8

About 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide

2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109327090) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109327090
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(C)nc(NCc3ccccc3)n2)c1
InChIInChI=1S/C22H24N4O2/c1-16-13-20(26-22(25-16)24-15-18-7-4-3-5-8-18)21(27)23-12-11-17-9-6-10-19(14-17)28-2/h3-10,13-14H,11-12,15H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyYIWOXFWFDAVCAS-UHFFFAOYSA-N
XLogP3.38
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331076
N-[2-(3-methoxyphenyl)ethyl]-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109328008
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-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328638
2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328220
N-[2-(3-methoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307461
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222
2-(benzylamino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109327159
2-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109305509
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329621
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308746

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide (CID 109327090) is 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide is COc1cccc(CCNC(=O)c2cc(C)nc(NCc3ccccc3)n2)c1.
What is the InChIKey of 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is YIWOXFWFDAVCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-13-20(26-22(25-16)24-15-18-7-4-3-5-8-18)21(27)23-12-11-17-9-6-10-19(14-17)28-2/h3-10,13-14H,11-12,15H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109327090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).