2-[[(2-hydroxycyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H19N3O2 — CID 62668790

IUPAC2-[[(2-hydroxycyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNC2CCCCC2O)nc2ccccn12
InChIInChI=1S/C15H19N3O2/c19-13-6-2-1-5-12(13)16-10-11-9-15(20)18-8-4-3-7-14(18)17-11/h3-4,7-9,12-13,16,19H,1-2,5-6,10H2
InChIKeyHMQLJZMJNTZTQN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.09
Rot. Bonds3

About 2-[[(2-hydroxycyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(2-hydroxycyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 62668790) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[(2-hydroxycyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2-hydroxycyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID62668790
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[[(2-hydroxycyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNC2CCCCC2O)nc2ccccn12
InChIInChI=1S/C15H19N3O2/c19-13-6-2-1-5-12(13)16-10-11-9-15(20)18-8-4-3-7-14(18)17-11/h3-4,7-9,12-13,16,19H,1-2,5-6,10H2
InChIKeyHMQLJZMJNTZTQN-UHFFFAOYSA-N
XLogP1.09
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxycyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(2-hydroxycyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 62668790) is 2-[[(2-hydroxycyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2-hydroxycyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(2-hydroxycyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNC2CCCCC2O)nc2ccccn12.
What is the InChIKey of 2-[[(2-hydroxycyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HMQLJZMJNTZTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-13-6-2-1-5-12(13)16-10-11-9-15(20)18-8-4-3-7-14(18)17-11/h3-4,7-9,12-13,16,19H,1-2,5-6,10H2.
What are the key properties of 2-[[(2-hydroxycyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(2-hydroxycyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.34 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxycyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 62668790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).