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

C14H17N3O3 — CID 136955931

IUPAC4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one
SMILESCOc1ccc(CCNc2cc(=O)[nH]cn2)cc1OC
InChIInChI=1S/C14H17N3O3/c1-19-11-4-3-10(7-12(11)20-2)5-6-15-13-8-14(18)17-9-16-13/h3-4,7-9H,5-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyIRPCTZQXCPICPP-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.44
Rot. Bonds6

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

4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136955931) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136955931
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one
SMILESCOc1ccc(CCNc2cc(=O)[nH]cn2)cc1OC
InChIInChI=1S/C14H17N3O3/c1-19-11-4-3-10(7-12(11)20-2)5-6-15-13-8-14(18)17-9-16-13/h3-4,7-9H,5-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyIRPCTZQXCPICPP-UHFFFAOYSA-N
XLogP1.44
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine
CID 61236065
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112862461
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859723
7-[2-(3,4-dimethoxyphenyl)ethylamino]-6-nitro-3H-quinazolin-4-one
CID 137289182
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860212
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine
CID 22308410
2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one
CID 2727844
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide
CID 113043251
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine
CID 82055041
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862476
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375
6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine
CID 80646577

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one (CID 136955931) is 4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one is COc1ccc(CCNc2cc(=O)[nH]cn2)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is IRPCTZQXCPICPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-11-4-3-10(7-12(11)20-2)5-6-15-13-8-14(18)17-9-16-13/h3-4,7-9H,5-6H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 275.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136955931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).