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

C14H21N3O2 — CID 103483858

IUPAC3-[3-(oxolan-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CCCC1CCCO1)CNCC2
InChIInChI=1S/C14H21N3O2/c18-14-12-5-6-15-9-13(12)16-10-17(14)7-1-3-11-4-2-8-19-11/h10-11,15H,1-9H2
InChIKeyRMLUDMKFZOOBNL-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.85
Rot. Bonds4

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

3-[3-(oxolan-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483858) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[3-(oxolan-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(oxolan-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483858
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[3-(oxolan-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CCCC1CCCO1)CNCC2
InChIInChI=1S/C14H21N3O2/c18-14-12-5-6-15-9-13(12)16-10-17(14)7-1-3-11-4-2-8-19-11/h10-11,15H,1-9H2
InChIKeyRMLUDMKFZOOBNL-UHFFFAOYSA-N
XLogP0.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.85
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-(4-Methoxybutyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483530
3-(1-Oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483562
3-[2-(Oxolan-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483860
3-[(5,5-Dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483921
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-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941594
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941602

Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxolan-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[3-(oxolan-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483858) is 3-[3-(oxolan-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[3-(oxolan-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[3-(oxolan-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1c2c(ncn1CCCC1CCCO1)CNCC2.
What is the InChIKey of 3-[3-(oxolan-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is RMLUDMKFZOOBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-14-12-5-6-15-9-13(12)16-10-17(14)7-1-3-11-4-2-8-19-11/h10-11,15H,1-9H2.
What are the key properties of 3-[3-(oxolan-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-[3-(oxolan-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 263.34 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxolan-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).