2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide

C22H24N4O2 — CID 109304859

IUPAC2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNc1nccc(C(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C22H24N4O2/c1-16(17-8-4-3-5-9-17)25-21(27)19-13-15-24-22(26-19)23-14-12-18-10-6-7-11-20(18)28-2/h3-11,13,15-16H,12,14H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyLHBZAHSVWWFQIG-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.63
Rot. Bonds8

About 2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide

2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109304859) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109304859
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNc1nccc(C(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C22H24N4O2/c1-16(17-8-4-3-5-9-17)25-21(27)19-13-15-24-22(26-19)23-14-12-18-10-6-7-11-20(18)28-2/h3-11,13,15-16H,12,14H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyLHBZAHSVWWFQIG-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296927
2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304866
2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109301059
N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308577
N-[2-(2-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308618
N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304715
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308588
N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306256
2-[2-(2-fluorophenyl)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295360
2-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307030
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308462
N-[2-(2-methoxyphenyl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306886

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide (CID 109304859) is 2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide is COc1ccccc1CCNc1nccc(C(=O)NC(C)c2ccccc2)n1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is LHBZAHSVWWFQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16(17-8-4-3-5-9-17)25-21(27)19-13-15-24-22(26-19)23-14-12-18-10-6-7-11-20(18)28-2/h3-11,13,15-16H,12,14H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide?
2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109304859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).