2-(oxolan-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one

C11H11N3O2 — CID 136920498

IUPAC2-(oxolan-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCCO2)nc2cnccc12
InChIInChI=1S/C11H11N3O2/c15-11-7-3-4-12-6-8(7)13-10(14-11)9-2-1-5-16-9/h3-4,6,9H,1-2,5H2,(H,13,14,15)
InChIKeyBVIMDTLSDVRSCL-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.17
Rot. Bonds1

About 2-(oxolan-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one

2-(oxolan-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136920498) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(oxolan-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136920498
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-(oxolan-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCCO2)nc2cnccc12
InChIInChI=1S/C11H11N3O2/c15-11-7-3-4-12-6-8(7)13-10(14-11)9-2-1-5-16-9/h3-4,6,9H,1-2,5H2,(H,13,14,15)
InChIKeyBVIMDTLSDVRSCL-UHFFFAOYSA-N
XLogP1.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)thiolane-2-carboxylic acid
CID 137229772
2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 65331461
2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one
CID 178029081
2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one
CID 137099765
2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile
CID 79004157
4-hydroxy-2-(oxolan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 65331631
2-(oxolan-2-yl)-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 43168748
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide
CID 119860394
2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136639300
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 119860393
7,7-dimethyl-2-[(2R)-oxan-2-yl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 97193570
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
CID 119860353

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(oxolan-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136920498) is 2-(oxolan-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(oxolan-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(oxolan-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(C2CCCO2)nc2cnccc12.
What is the InChIKey of 2-(oxolan-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is BVIMDTLSDVRSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-11-7-3-4-12-6-8(7)13-10(14-11)9-2-1-5-16-9/h3-4,6,9H,1-2,5H2,(H,13,14,15).
What are the key properties of 2-(oxolan-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(oxolan-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 217.23 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136920498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).