3-ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one

C10H17N3O2 — CID 19100868

IUPAC3-ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one
SMILESCCn1c(NC)nc(C)c(CCO)c1=O
InChIInChI=1S/C10H17N3O2/c1-4-13-9(15)8(5-6-14)7(2)12-10(13)11-3/h14H,4-6H2,1-3H3,(H,11,12)
InChIKeyQMJQEULYXXMHKK-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.15
Rot. Bonds4

About 3-ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one

3-ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one (PubChem CID 19100868) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one
PubChem CID19100868
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one
SMILESCCn1c(NC)nc(C)c(CCO)c1=O
InChIInChI=1S/C10H17N3O2/c1-4-13-9(15)8(5-6-14)7(2)12-10(13)11-3/h14H,4-6H2,1-3H3,(H,11,12)
InChIKeyQMJQEULYXXMHKK-UHFFFAOYSA-N
XLogP0.15
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-5-(2-hydroxyethyl)-6-methyl-4(3H)-pyrimidinone
CID 135408695
1,6-Dihydro-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidine
CID 135422502
2-(4-Ethylpiperazin-1-yl)-5-(2-hydroxyethyl)-6-methyl-3H-pyrimidin-4-one
CID 135644926
5-(2-Hydroxyethyl)-6-methyl-2-(methylamino)-3-(2-oxopropyl)pyrimidin-4-one
CID 19100867
5-(2-Hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one
CID 19100898
6-(2-Hydroxyethyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 19100902
5-(2-Hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one
CID 19100903
N-[5-(2-hydroxyethyl)-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-2-yl]acetamide
CID 19100919
2-amino-5-(2-hydroxyethyl)-3,6-dimethyl-4(3H)-pyrimidinone
CID 19100928
2-(2-Ethoxyethylamino)-5-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one
CID 20061459
6-Tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one
CID 71110306
2-Amino-6-(2-hydroxyethyl)-1,7-dimethylimidazo[1,2-a]pyrimidin-5-one
CID 82617098

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one?
The IUPAC name of 3-ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one (CID 19100868) is 3-ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one?
The canonical SMILES for 3-ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one is CCn1c(NC)nc(C)c(CCO)c1=O.
What is the InChIKey of 3-ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one?
The InChIKey is QMJQEULYXXMHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-13-9(15)8(5-6-14)7(2)12-10(13)11-3/h14H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one?
3-ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one has a molecular weight of 211.26 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one is sourced from PubChem (CID 19100868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).