5-(2-hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one

C9H15N3O2 — CID 19100898

IUPAC5-(2-hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one
SMILESCNc1nc(C)c(CCO)c(=O)n1C
InChIInChI=1S/C9H15N3O2/c1-6-7(4-5-13)8(14)12(3)9(10-2)11-6/h13H,4-5H2,1-3H3,(H,10,11)
InChIKeyPVBXMNGQYPATRD-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.33
Rot. Bonds3

About 5-(2-hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one

5-(2-hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one (PubChem CID 19100898) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one
PubChem CID19100898
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-(2-hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one
SMILESCNc1nc(C)c(CCO)c(=O)n1C
InChIInChI=1S/C9H15N3O2/c1-6-7(4-5-13)8(14)12(3)9(10-2)11-6/h13H,4-5H2,1-3H3,(H,10,11)
InChIKeyPVBXMNGQYPATRD-UHFFFAOYSA-N
XLogP-0.33
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.33
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
6-(2-Hydroxyethyl)-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
CID 379144
5-(1-hydroxypropan-2-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135850585
(2-Hydroxyethyl)-3,6-dimethyluracil
CID 129830464
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
3-Ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one
CID 19100868
6-(2-Hydroxyethyl)-1,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
CID 19100870
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

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one?
The IUPAC name of 5-(2-hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one (CID 19100898) is 5-(2-hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one?
The canonical SMILES for 5-(2-hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one is CNc1nc(C)c(CCO)c(=O)n1C.
What is the InChIKey of 5-(2-hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one?
The InChIKey is PVBXMNGQYPATRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-7(4-5-13)8(14)12(3)9(10-2)11-6/h13H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 5-(2-hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one?
5-(2-hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one has a molecular weight of 197.24 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one is sourced from PubChem (CID 19100898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).