3-(5-hydroxypentyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C12H19N3O2 — CID 103483608

IUPAC3-(5-hydroxypentyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CCCCCO)CNCC2
InChIInChI=1S/C12H19N3O2/c16-7-3-1-2-6-15-9-14-11-8-13-5-4-10(11)12(15)17/h9,13,16H,1-8H2
InChIKeyYXCVHDOQHKZVQG-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.05
Rot. Bonds5

About 3-(5-hydroxypentyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

3-(5-hydroxypentyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483608) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(5-hydroxypentyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(5-hydroxypentyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483608
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(5-hydroxypentyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CCCCCO)CNCC2
InChIInChI=1S/C12H19N3O2/c16-7-3-1-2-6-15-9-14-11-8-13-5-4-10(11)12(15)17/h9,13,16H,1-8H2
InChIKeyYXCVHDOQHKZVQG-UHFFFAOYSA-N
XLogP0.05
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxypentyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(5-hydroxypentyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483608) is 3-(5-hydroxypentyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(5-hydroxypentyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(5-hydroxypentyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1c2c(ncn1CCCCCO)CNCC2.
What is the InChIKey of 3-(5-hydroxypentyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is YXCVHDOQHKZVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-7-3-1-2-6-15-9-14-11-8-13-5-4-10(11)12(15)17/h9,13,16H,1-8H2.
What are the key properties of 3-(5-hydroxypentyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-(5-hydroxypentyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 237.30 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxypentyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).