3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C13H19N3O2 — CID 103483860

IUPAC3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CCC1CCCO1)CNCC2
InChIInChI=1S/C13H19N3O2/c17-13-11-3-5-14-8-12(11)15-9-16(13)6-4-10-2-1-7-18-10/h9-10,14H,1-8H2
InChIKeyFHUMIUVTHCYPNG-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.46
Rot. Bonds3

About 3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483860) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483860
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CCC1CCCO1)CNCC2
InChIInChI=1S/C13H19N3O2/c17-13-11-3-5-14-8-12(11)15-9-16(13)6-4-10-2-1-7-18-10/h9-10,14H,1-8H2
InChIKeyFHUMIUVTHCYPNG-UHFFFAOYSA-N
XLogP0.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483507
3-(2-Propan-2-yloxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483547
N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
CID 103483597
3-(3-Ethoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483668
3-(3-Methoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483827
3-[3-(Oxolan-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483858
3-[(5,5-Dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483921
3-[3-(2-Methoxyethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483925
3-[(5-Methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 113820932
3-(6-Hydroxyhexyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 113991905
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941057
2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941594

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483860) is 3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1c2c(ncn1CCC1CCCO1)CNCC2.
What is the InChIKey of 3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is FHUMIUVTHCYPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13-11-3-5-14-8-12(11)15-9-16(13)6-4-10-2-1-7-18-10/h9-10,14H,1-8H2.
What are the key properties of 3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 249.31 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).