2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1H-pyrimidin-6-one

C15H19N3O3 — CID 135412175

IUPAC2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(CCNc2nc(C)cc(=O)[nH]2)cc1OC
InChIInChI=1S/C15H19N3O3/c1-10-8-14(19)18-15(17-10)16-7-6-11-4-5-12(20-2)13(9-11)21-3/h4-5,8-9H,6-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyCSUSVEBZJGEDMX-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.75
Rot. Bonds6

About 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1H-pyrimidin-6-one

2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135412175) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1H-pyrimidin-6-one
PubChem CID135412175
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(CCNc2nc(C)cc(=O)[nH]2)cc1OC
InChIInChI=1S/C15H19N3O3/c1-10-8-14(19)18-15(17-10)16-7-6-11-4-5-12(20-2)13(9-11)21-3/h4-5,8-9H,6-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyCSUSVEBZJGEDMX-UHFFFAOYSA-N
XLogP1.75
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(3,4-Dimethoxyphenyl)ethyl)urea
CID 95288
2-Amino-6-(4-methoxyphenyl)pyrimidin-4-ol
CID 135648979
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4825908
N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 786964
2-(2-Amino-6-hydroxy-pyrimidin-4-ylsulfanyl)-N-[2-(3,4-dimethoxy-phenyl)-ethyl]-acetamide
CID 651881
4-((3,4-dimethoxyphenethyl)amino)-6-methylpyridin-2(1H)-one
CID 906230
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 1073906
2-[(3,4-dimethoxybenzyl)amino]-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1265172
N-({[2-(3,4-dimethoxyphenyl)ethyl]amino}carbonothioyl)-3-(4-methylphenyl)acrylamide
CID 2250155
2-(benzylamino)-6-(4-methoxyphenyl)-4(3H)-pyrimidinone
CID 135414572
2-amino-6-{[2-(4-methoxyphenyl)ethyl]amino}-4(3H)-pyrimidinone
CID 135476459
2-amino-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one
CID 136216655

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1H-pyrimidin-6-one (CID 135412175) is 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1H-pyrimidin-6-one is COc1ccc(CCNc2nc(C)cc(=O)[nH]2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is CSUSVEBZJGEDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-8-14(19)18-15(17-10)16-7-6-11-4-5-12(20-2)13(9-11)21-3/h4-5,8-9H,6-7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1H-pyrimidin-6-one?
2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 289.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135412175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).