6-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane

C13H18N4O — CID 176625911

IUPAC6-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane
SMILESCN1CCc2cnc(N3CC4(COC4)C3)nc2C1
InChIInChI=1S/C13H18N4O/c1-16-3-2-10-4-14-12(15-11(10)5-16)17-6-13(7-17)8-18-9-13/h4H,2-3,5-9H2,1H3
InChIKeyGFFFPHYGVMWLHN-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.30
Rot. Bonds1

About 6-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane

6-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 176625911) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane
PubChem CID176625911
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name6-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane
SMILESCN1CCc2cnc(N3CC4(COC4)C3)nc2C1
InChIInChI=1S/C13H18N4O/c1-16-3-2-10-4-14-12(15-11(10)5-16)17-6-13(7-17)8-18-9-13/h4H,2-3,5-9H2,1H3
InChIKeyGFFFPHYGVMWLHN-UHFFFAOYSA-N
XLogP0.30
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane with MolForge

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Related Compounds

7-[7-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-oxa-7-azaspiro[4.4]nonane
CID 176626222
2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-amine
CID 166532350
2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 176625965
ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 143170671
N-methyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-amine
CID 145047462
6-(5-deuteriopyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane
CID 175849262
2-[5-(iodomethyl)pyrimidin-2-yl]-7-methyl-2,7-diazaspiro[3.5]nonane
CID 155357699
ethane;7-methyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.5]nonane
CID 171069701
4-[7-(5-ethylthiophen-2-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]morpholine
CID 86264718
2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 59493796
3,7-dimethyl-6,8-dihydro-5H-1,7-naphthyridine
CID 59437026
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 86264689

Frequently Asked Questions

What is the IUPAC name of 6-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane (CID 176625911) is 6-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane is CN1CCc2cnc(N3CC4(COC4)C3)nc2C1.
What is the InChIKey of 6-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is GFFFPHYGVMWLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-16-3-2-10-4-14-12(15-11(10)5-16)17-6-13(7-17)8-18-9-13/h4H,2-3,5-9H2,1H3.
What are the key properties of 6-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane?
6-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 246.31 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 176625911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).