2-ethyl-4-(3-hydroxypropoxy)-1H-pyrimidin-6-one

C9H14N2O3 — CID 103240810

IUPAC2-ethyl-4-(3-hydroxypropoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OCCCO)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-2-7-10-8(13)6-9(11-7)14-5-3-4-12/h6,12H,2-5H2,1H3,(H,10,11,13)
InChIKeyYKNSKGREPRGZRV-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.09
Rot. Bonds5

About 2-ethyl-4-(3-hydroxypropoxy)-1H-pyrimidin-6-one

2-ethyl-4-(3-hydroxypropoxy)-1H-pyrimidin-6-one (PubChem CID 103240810) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-ethyl-4-(3-hydroxypropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(3-hydroxypropoxy)-1H-pyrimidin-6-one
PubChem CID103240810
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-ethyl-4-(3-hydroxypropoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OCCCO)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-2-7-10-8(13)6-9(11-7)14-5-3-4-12/h6,12H,2-5H2,1H3,(H,10,11,13)
InChIKeyYKNSKGREPRGZRV-UHFFFAOYSA-N
XLogP0.09
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethyl-4-(3-hydroxypropoxy)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
2-Ethyl-4,6-dihydroxypyrimidine
CID 520836
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240404
2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240550
2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241791
4-(2,2-difluoroethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103241906
2-ethyl-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241929
2-ethyl-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 113792802
2-Cyclopropyl-6-ethoxypyrimidin-4(1H)-one
CID 12945284
2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one
CID 14279697
6-Methoxy-2-(propan-2-yl)pyrimidin-4(3H)-one
CID 23338958

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(3-hydroxypropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(3-hydroxypropoxy)-1H-pyrimidin-6-one (CID 103240810) is 2-ethyl-4-(3-hydroxypropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(3-hydroxypropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(3-hydroxypropoxy)-1H-pyrimidin-6-one is CCc1nc(OCCCO)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(3-hydroxypropoxy)-1H-pyrimidin-6-one?
The InChIKey is YKNSKGREPRGZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-2-7-10-8(13)6-9(11-7)14-5-3-4-12/h6,12H,2-5H2,1H3,(H,10,11,13).
What are the key properties of 2-ethyl-4-(3-hydroxypropoxy)-1H-pyrimidin-6-one?
2-ethyl-4-(3-hydroxypropoxy)-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-hydroxypropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).