2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

C17H23N3O4 — CID 135612119

IUPAC2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(CCNc2nc(C)c(CCO)c(=O)[nH]2)cc1OC
InChIInChI=1S/C17H23N3O4/c1-11-13(7-9-21)16(22)20-17(19-11)18-8-6-12-4-5-14(23-2)15(10-12)24-3/h4-5,10,21H,6-9H2,1-3H3,(H2,18,19,20,22)
InChIKeyFHRSAHXPDRTXQA-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.28
Rot. Bonds8

About 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135612119) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135612119
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(CCNc2nc(C)c(CCO)c(=O)[nH]2)cc1OC
InChIInChI=1S/C17H23N3O4/c1-11-13(7-9-21)16(22)20-17(19-11)18-8-6-12-4-5-14(23-2)15(10-12)24-3/h4-5,10,21H,6-9H2,1-3H3,(H2,18,19,20,22)
InChIKeyFHRSAHXPDRTXQA-UHFFFAOYSA-N
XLogP1.28
TPSA96.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one
CID 2727844
3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135511625
3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one
CID 135476904
2-[(2Z)-2-[[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136788603
2-(4-butylanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612055
3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136780214
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423
5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-1H-pyrimidin-6-one
CID 135612070
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide
CID 136616367
4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136955931
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 30464265
4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine
CID 46179762

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (CID 135612119) is 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is COc1ccc(CCNc2nc(C)c(CCO)c(=O)[nH]2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is FHRSAHXPDRTXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-11-13(7-9-21)16(22)20-17(19-11)18-8-6-12-4-5-14(23-2)15(10-12)24-3/h4-5,10,21H,6-9H2,1-3H3,(H2,18,19,20,22).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 333.39 g/mol, XLogP of 1.28, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135612119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).