2-methyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

C15H19N5O — CID 163365595

IUPAC2-methyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2cnc(N3C[C@H]4CC[C@@H]3CN4C)cc2c(=O)[nH]1
InChIInChI=1S/C15H19N5O/c1-9-17-13-6-16-14(5-12(13)15(21)18-9)20-8-10-3-4-11(20)7-19(10)2/h5-6,10-11H,3-4,7-8H2,1-2H3,(H,17,18,21)/t10-,11-/m1/s1
InChIKeyHEHAOKUSMSRWAJ-GHMZBOCLSA-N
MW285.35 g/mol
LogP0.91
Rot. Bonds1

About 2-methyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

2-methyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 163365595) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID163365595
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-methyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2cnc(N3C[C@H]4CC[C@@H]3CN4C)cc2c(=O)[nH]1
InChIInChI=1S/C15H19N5O/c1-9-17-13-6-16-14(5-12(13)15(21)18-9)20-8-10-3-4-11(20)7-19(10)2/h5-6,10-11H,3-4,7-8H2,1-2H3,(H,17,18,21)/t10-,11-/m1/s1
InChIKeyHEHAOKUSMSRWAJ-GHMZBOCLSA-N
XLogP0.91
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]-3H-pyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 163365595) is 2-methyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is Cc1nc2cnc(N3C[C@H]4CC[C@@H]3CN4C)cc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is HEHAOKUSMSRWAJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H19N5O/c1-9-17-13-6-16-14(5-12(13)15(21)18-9)20-8-10-3-4-11(20)7-19(10)2/h5-6,10-11H,3-4,7-8H2,1-2H3,(H,17,18,21)/t10-,11-/m1/s1.
What are the key properties of 2-methyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
2-methyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 285.35 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 163365595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).