2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C15H17N5O — CID 11778570

IUPAC2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CC3CC2CN3)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C15H17N5O/c1-19-14(21)7-13(10-2-4-16-5-3-10)18-15(19)20-9-11-6-12(20)8-17-11/h2-5,7,11-12,17H,6,8-9H2,1H3
InChIKeyFYXCCZVTXKALQF-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.39
Rot. Bonds2

About 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 11778570) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID11778570
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CC3CC2CN3)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C15H17N5O/c1-19-14(21)7-13(10-2-4-16-5-3-10)18-15(19)20-9-11-6-12(20)8-17-11/h2-5,7,11-12,17H,6,8-9H2,1H3
InChIKeyFYXCCZVTXKALQF-UHFFFAOYSA-N
XLogP0.39
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 11778570) is 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(N2CC3CC2CN3)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is FYXCCZVTXKALQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-19-14(21)7-13(10-2-4-16-5-3-10)18-15(19)20-9-11-6-12(20)8-17-11/h2-5,7,11-12,17H,6,8-9H2,1H3.
What are the key properties of 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 283.33 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 11778570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).