3-methyl-2-[(1R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-pyrimidin-4-ylpyrimidin-4-one

C19H19N7O — CID 25253180

IUPAC3-methyl-2-[(1R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-pyrimidin-4-ylpyrimidin-4-one
SMILESCn1c(N2CC3C[C@@H]2CN3c2ccccn2)nc(-c2ccncn2)cc1=O
InChIInChI=1S/C19H19N7O/c1-24-18(27)9-16(15-5-7-20-12-22-15)23-19(24)26-11-13-8-14(26)10-25(13)17-4-2-3-6-21-17/h2-7,9,12-14H,8,10-11H2,1H3/t13?,14-/m1/s1
InChIKeyZYVBULGXUHSMET-ARLHGKGLSA-N
MW361.41 g/mol
LogP1.10
Rot. Bonds3

About 3-methyl-2-[(1R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-pyrimidin-4-ylpyrimidin-4-one

3-methyl-2-[(1R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-pyrimidin-4-ylpyrimidin-4-one (PubChem CID 25253180) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-methyl-2-[(1R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-pyrimidin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[(1R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-pyrimidin-4-ylpyrimidin-4-one
PubChem CID25253180
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name3-methyl-2-[(1R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-pyrimidin-4-ylpyrimidin-4-one
SMILESCn1c(N2CC3C[C@@H]2CN3c2ccccn2)nc(-c2ccncn2)cc1=O
InChIInChI=1S/C19H19N7O/c1-24-18(27)9-16(15-5-7-20-12-22-15)23-19(24)26-11-13-8-14(26)10-25(13)17-4-2-3-6-21-17/h2-7,9,12-14H,8,10-11H2,1H3/t13?,14-/m1/s1
InChIKeyZYVBULGXUHSMET-ARLHGKGLSA-N
XLogP1.10
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-[(1R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-pyrimidin-4-ylpyrimidin-4-one (CID 25253180) is 3-methyl-2-[(1R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-pyrimidin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[(1R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[(1R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-pyrimidin-4-ylpyrimidin-4-one is Cn1c(N2CC3C[C@@H]2CN3c2ccccn2)nc(-c2ccncn2)cc1=O.
What is the InChIKey of 3-methyl-2-[(1R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
The InChIKey is ZYVBULGXUHSMET-ARLHGKGLSA-N. The full InChI is InChI=1S/C19H19N7O/c1-24-18(27)9-16(15-5-7-20-12-22-15)23-19(24)26-11-13-8-14(26)10-25(13)17-4-2-3-6-21-17/h2-7,9,12-14H,8,10-11H2,1H3/t13?,14-/m1/s1.
What are the key properties of 3-methyl-2-[(1R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
3-methyl-2-[(1R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-pyrimidin-4-ylpyrimidin-4-one has a molecular weight of 361.41 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-pyrimidin-4-ylpyrimidin-4-one is sourced from PubChem (CID 25253180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).