2-(oxolan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one

C11H15N3O2 — CID 136941065

IUPAC2-(oxolan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCOC2)nc2c1CNCC2
InChIInChI=1S/C11H15N3O2/c15-11-8-5-12-3-1-9(8)13-10(14-11)7-2-4-16-6-7/h7,12H,1-6H2,(H,13,14,15)
InChIKeyIYDVRQOGNCCFJR-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.08
Rot. Bonds1

About 2-(oxolan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one

2-(oxolan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 136941065) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(oxolan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID136941065
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(oxolan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCOC2)nc2c1CNCC2
InChIInChI=1S/C11H15N3O2/c15-11-8-5-12-3-1-9(8)13-10(14-11)7-2-4-16-6-7/h7,12H,1-6H2,(H,13,14,15)
InChIKeyIYDVRQOGNCCFJR-UHFFFAOYSA-N
XLogP-0.08
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136842551
2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 137012998
5-ethyl-4-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 136035553
4-ethyl-5-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 136068020
2,4-dimethyl-5-[1-[3-(2-methylpropoxy)propylamino]ethyl]-1H-pyrimidin-6-one
CID 136091302
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(oxolan-3-ylmethyl)acetamide
CID 136094330
4-methyl-2-(oxolan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136165811
2,4-dimethyl-5-[1-(oxolan-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one
CID 136171572
4-(2-aminoethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 136303796
5-(aminomethyl)-4-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 136314599
2-pyrrolidin-3-yl-5,6,8,9-tetrahydro-3H-oxepino[4,5-d]pyrimidin-4-one
CID 136671945
2,4-dimethyl-5-[1-[(2-methyloxolan-3-yl)methylamino]ethyl]-1H-pyrimidin-6-one
CID 136695053

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(oxolan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (CID 136941065) is 2-(oxolan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(oxolan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(oxolan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2CCOC2)nc2c1CNCC2.
What is the InChIKey of 2-(oxolan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is IYDVRQOGNCCFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11-8-5-12-3-1-9(8)13-10(14-11)7-2-4-16-6-7/h7,12H,1-6H2,(H,13,14,15).
What are the key properties of 2-(oxolan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
2-(oxolan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 221.26 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136941065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).