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

C11H17N3O3 — CID 19100867

IUPAC5-(2-hydroxyethyl)-6-methyl-2-(methylamino)-3-(2-oxopropyl)pyrimidin-4-one
SMILESCNc1nc(C)c(CCO)c(=O)n1CC(C)=O
InChIInChI=1S/C11H17N3O3/c1-7(16)6-14-10(17)9(4-5-15)8(2)13-11(14)12-3/h15H,4-6H2,1-3H3,(H,12,13)
InChIKeyDZMVKQWGENBOIB-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.28
Rot. Bonds5

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

5-(2-hydroxyethyl)-6-methyl-2-(methylamino)-3-(2-oxopropyl)pyrimidin-4-one (PubChem CID 19100867) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-6-methyl-2-(methylamino)-3-(2-oxopropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-6-methyl-2-(methylamino)-3-(2-oxopropyl)pyrimidin-4-one
PubChem CID19100867
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-(2-hydroxyethyl)-6-methyl-2-(methylamino)-3-(2-oxopropyl)pyrimidin-4-one
SMILESCNc1nc(C)c(CCO)c(=O)n1CC(C)=O
InChIInChI=1S/C11H17N3O3/c1-7(16)6-14-10(17)9(4-5-15)8(2)13-11(14)12-3/h15H,4-6H2,1-3H3,(H,12,13)
InChIKeyDZMVKQWGENBOIB-UHFFFAOYSA-N
XLogP-0.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Ethylpiperazin-1-yl)-5-(2-hydroxyethyl)-6-methyl-3H-pyrimidin-4-one
CID 135644926
3-Ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one
CID 19100868
5-(2-Hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one
CID 19100898
5-(2-Hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one
CID 19100903
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-(2-Hydroxyethyl)-1,2,3,7-tetramethylimidazo[1,2-a]pyrimidin-5-one
CID 96815351
5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one
CID 135736974
5-(2-hydroxyethyl)-4-methyl-2-(propylamino)-1H-pyrimidin-6-one
CID 135736975
2-dimethylamino-5-(2-hydroxyethyl)-6-methyl-4(3H)-pyrimidinone
CID 135736976
2-[2-(Ethylamino)-1,4-dimethyl-6-oxopyrimidin-5-yl]ethyl hypochlorite
CID 139800772
2-[2-(Butylamino)-1,4-dimethyl-6-oxopyrimidin-5-yl]ethyl hypochlorite
CID 139800773

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-6-methyl-2-(methylamino)-3-(2-oxopropyl)pyrimidin-4-one?
The IUPAC name of 5-(2-hydroxyethyl)-6-methyl-2-(methylamino)-3-(2-oxopropyl)pyrimidin-4-one (CID 19100867) is 5-(2-hydroxyethyl)-6-methyl-2-(methylamino)-3-(2-oxopropyl)pyrimidin-4-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-6-methyl-2-(methylamino)-3-(2-oxopropyl)pyrimidin-4-one?
The canonical SMILES for 5-(2-hydroxyethyl)-6-methyl-2-(methylamino)-3-(2-oxopropyl)pyrimidin-4-one is CNc1nc(C)c(CCO)c(=O)n1CC(C)=O.
What is the InChIKey of 5-(2-hydroxyethyl)-6-methyl-2-(methylamino)-3-(2-oxopropyl)pyrimidin-4-one?
The InChIKey is DZMVKQWGENBOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(16)6-14-10(17)9(4-5-15)8(2)13-11(14)12-3/h15H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 5-(2-hydroxyethyl)-6-methyl-2-(methylamino)-3-(2-oxopropyl)pyrimidin-4-one?
5-(2-hydroxyethyl)-6-methyl-2-(methylamino)-3-(2-oxopropyl)pyrimidin-4-one has a molecular weight of 239.27 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-6-methyl-2-(methylamino)-3-(2-oxopropyl)pyrimidin-4-one is sourced from PubChem (CID 19100867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).