2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one

C18H18N4O2 — CID 135406996

IUPAC2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCOc1ccc(CCNc2nc(-c3ccncc3)cc(=O)[nH]2)cc1
InChIInChI=1S/C18H18N4O2/c1-24-15-4-2-13(3-5-15)6-11-20-18-21-16(12-17(23)22-18)14-7-9-19-10-8-14/h2-5,7-10,12H,6,11H2,1H3,(H2,20,21,22,23)
InChIKeyKQVLDIFBKJGKOA-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.50
Rot. Bonds6

About 2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one

2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 135406996) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID135406996
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCOc1ccc(CCNc2nc(-c3ccncc3)cc(=O)[nH]2)cc1
InChIInChI=1S/C18H18N4O2/c1-24-15-4-2-13(3-5-15)6-11-20-18-21-16(12-17(23)22-18)14-7-9-19-10-8-14/h2-5,7-10,12H,6,11H2,1H3,(H2,20,21,22,23)
InChIKeyKQVLDIFBKJGKOA-UHFFFAOYSA-N
XLogP2.50
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-fluorophenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135433523
2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136741034
2-[(3,4-dimethoxyphenyl)methylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135484550
2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135443433
4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 135484464
3-[2-(4-methoxyphenyl)ethylamino]-4-(pyridin-4-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 53369379
tert-butyl N-[[3-[[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]methyl]phenyl]methyl]carbamate
CID 135542913
2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one
CID 2727844
3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one
CID 135476904
N-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]nitramide
CID 136740741
2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 135727215
3-[2-(4-methoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135612014

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 135406996) is 2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one is COc1ccc(CCNc2nc(-c3ccncc3)cc(=O)[nH]2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is KQVLDIFBKJGKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-15-4-2-13(3-5-15)6-11-20-18-21-16(12-17(23)22-18)14-7-9-19-10-8-14/h2-5,7-10,12H,6,11H2,1H3,(H2,20,21,22,23).
What are the key properties of 2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one?
2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 322.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135406996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).