(5R)-4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C13H17N5O — CID 154663206

IUPAC(5R)-4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H]1CC(=O)Nc2ncnc(N3CCNC4CC43)c21
InChIInChI=1S/C13H17N5O/c1-7-4-10(19)17-12-11(7)13(16-6-15-12)18-3-2-14-8-5-9(8)18/h6-9,14H,2-5H2,1H3,(H,15,16,17,19)/t7-,8?,9?/m1/s1
InChIKeyGYYKVXVYHLIJBT-AFPNSQJFSA-N
MW259.31 g/mol
LogP0.47
Rot. Bonds1

About (5R)-4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

(5R)-4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 154663206) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is (5R)-4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name(5R)-4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID154663206
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name(5R)-4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H]1CC(=O)Nc2ncnc(N3CCNC4CC43)c21
InChIInChI=1S/C13H17N5O/c1-7-4-10(19)17-12-11(7)13(16-6-15-12)18-3-2-14-8-5-9(8)18/h6-9,14H,2-5H2,1H3,(H,15,16,17,19)/t7-,8?,9?/m1/s1
InChIKeyGYYKVXVYHLIJBT-AFPNSQJFSA-N
XLogP0.47
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R)-4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of (5R)-4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 154663206) is (5R)-4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for (5R)-4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for (5R)-4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is C[C@@H]1CC(=O)Nc2ncnc(N3CCNC4CC43)c21.
What is the InChIKey of (5R)-4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GYYKVXVYHLIJBT-AFPNSQJFSA-N. The full InChI is InChI=1S/C13H17N5O/c1-7-4-10(19)17-12-11(7)13(16-6-15-12)18-3-2-14-8-5-9(8)18/h6-9,14H,2-5H2,1H3,(H,15,16,17,19)/t7-,8?,9?/m1/s1.
What are the key properties of (5R)-4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
(5R)-4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 259.31 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 154663206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).