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

C18H24N4O2 — CID 109296927

IUPAC2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNc1nccc(C(=O)NCC(C)C)n1
InChIInChI=1S/C18H24N4O2/c1-13(2)12-21-17(23)15-9-11-20-18(22-15)19-10-8-14-6-4-5-7-16(14)24-3/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,21,23)(H,19,20,22)
InChIKeyLKGWWUBIXPFYBC-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.53
Rot. Bonds8

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

2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide (PubChem CID 109296927) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
PubChem CID109296927
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNc1nccc(C(=O)NCC(C)C)n1
InChIInChI=1S/C18H24N4O2/c1-13(2)12-21-17(23)15-9-11-20-18(22-15)19-10-8-14-6-4-5-7-16(14)24-3/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,21,23)(H,19,20,22)
InChIKeyLKGWWUBIXPFYBC-UHFFFAOYSA-N
XLogP2.53
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306256
2-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307030
2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304859
N-[2-(2-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308618
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
N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308577
2-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109305508
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308588
[2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300546
N-[2-(2-fluorophenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296732
2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109308648

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide (CID 109296927) is 2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide is COc1ccccc1CCNc1nccc(C(=O)NCC(C)C)n1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The InChIKey is LKGWWUBIXPFYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(2)12-21-17(23)15-9-11-20-18(22-15)19-10-8-14-6-4-5-7-16(14)24-3/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,21,23)(H,19,20,22).
What are the key properties of 2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide?
2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.53, 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-(2-methylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109296927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).