2-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C20H22N6O — CID 72925618

IUPAC2-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)nc2ccccn12
InChIInChI=1S/C20H22N6O/c27-19-10-16(23-18-4-1-2-9-26(18)19)13-24-11-15-5-6-17(24)14-25(12-15)20-21-7-3-8-22-20/h1-4,7-10,15,17H,5-6,11-14H2/t15-,17-/m1/s1
InChIKeyMHTMPWIIEZAHBA-NVXWUHKLSA-N
MW362.44 g/mol
LogP1.59
Rot. Bonds3

About 2-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 72925618) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID72925618
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)nc2ccccn12
InChIInChI=1S/C20H22N6O/c27-19-10-16(23-18-4-1-2-9-26(18)19)13-24-11-15-5-6-17(24)14-25(12-15)20-21-7-3-8-22-20/h1-4,7-10,15,17H,5-6,11-14H2/t15-,17-/m1/s1
InChIKeyMHTMPWIIEZAHBA-NVXWUHKLSA-N
XLogP1.59
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 72925618) is 2-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)nc2ccccn12.
What is the InChIKey of 2-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MHTMPWIIEZAHBA-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H22N6O/c27-19-10-16(23-18-4-1-2-9-26(18)19)13-24-11-15-5-6-17(24)14-25(12-15)20-21-7-3-8-22-20/h1-4,7-10,15,17H,5-6,11-14H2/t15-,17-/m1/s1.
What are the key properties of 2-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 362.44 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 72925618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).