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

C11H19N3O2 — CID 19100903

IUPAC5-(2-hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one
SMILESCCCNc1nc(C)c(CCO)c(=O)n1C
InChIInChI=1S/C11H19N3O2/c1-4-6-12-11-13-8(2)9(5-7-15)10(16)14(11)3/h15H,4-7H2,1-3H3,(H,12,13)
InChIKeyPOWVWVFPDIYXRV-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.45
Rot. Bonds5

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

5-(2-hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one (PubChem CID 19100903) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one
PubChem CID19100903
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-(2-hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one
SMILESCCCNc1nc(C)c(CCO)c(=O)n1C
InChIInChI=1S/C11H19N3O2/c1-4-6-12-11-13-8(2)9(5-7-15)10(16)14(11)3/h15H,4-7H2,1-3H3,(H,12,13)
InChIKeyPOWVWVFPDIYXRV-UHFFFAOYSA-N
XLogP0.45
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.45
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
(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
5-(2-Hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one
CID 19100898
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
5,6-Ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one
CID 71110198
6-Tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one
CID 71110306

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one?
The IUPAC name of 5-(2-hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one (CID 19100903) is 5-(2-hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one?
The canonical SMILES for 5-(2-hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one is CCCNc1nc(C)c(CCO)c(=O)n1C.
What is the InChIKey of 5-(2-hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one?
The InChIKey is POWVWVFPDIYXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-6-12-11-13-8(2)9(5-7-15)10(16)14(11)3/h15H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 5-(2-hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one?
5-(2-hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one has a molecular weight of 225.29 g/mol, XLogP of 0.45, 5 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-(propylamino)pyrimidin-4-one is sourced from PubChem (CID 19100903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).