6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one

C15H18N4O2 — CID 175831763

IUPAC6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(C2(O)CC3CCC(C2)N3)cc2cncnc21
InChIInChI=1S/C15H18N4O2/c1-19-13-9(7-16-8-17-13)4-12(14(19)20)15(21)5-10-2-3-11(6-15)18-10/h4,7-8,10-11,18,21H,2-3,5-6H2,1H3
InChIKeyWKCCENCCGHWJRB-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.43
Rot. Bonds1

About 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one

6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 175831763) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID175831763
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(C2(O)CC3CCC(C2)N3)cc2cncnc21
InChIInChI=1S/C15H18N4O2/c1-19-13-9(7-16-8-17-13)4-12(14(19)20)15(21)5-10-2-3-11(6-15)18-10/h4,7-8,10-11,18,21H,2-3,5-6H2,1H3
InChIKeyWKCCENCCGHWJRB-UHFFFAOYSA-N
XLogP0.43
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 165398615
6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 175780859
8-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one
CID 175933692
8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one
CID 175933676
6-(3,6-dihydro-2H-thiopyran-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 175780819
3-isoquinolin-4-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171956096
8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 175780838
3-(3-methylimidazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171951752
3-(6-methoxy-4-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171960276
6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
CID 141132964
6-amino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
CID 141132986
3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63975851

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 175831763) is 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(C2(O)CC3CCC(C2)N3)cc2cncnc21.
What is the InChIKey of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WKCCENCCGHWJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-19-13-9(7-16-8-17-13)4-12(14(19)20)15(21)5-10-2-3-11(6-15)18-10/h4,7-8,10-11,18,21H,2-3,5-6H2,1H3.
What are the key properties of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 286.33 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 175831763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).