2-[(cyclohexylamino)methyl]-9-hydroxy-6-methylpyrido[1,2-a]pyrimidin-4-one

C16H21N3O2 — CID 121384876

IUPAC2-[(cyclohexylamino)methyl]-9-hydroxy-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(O)c2nc(CNC3CCCCC3)cc(=O)n12
InChIInChI=1S/C16H21N3O2/c1-11-7-8-14(20)16-18-13(9-15(21)19(11)16)10-17-12-5-3-2-4-6-12/h7-9,12,17,20H,2-6,10H2,1H3
InChIKeySHVAJXMSQJXQDC-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.13
Rot. Bonds3

About 2-[(cyclohexylamino)methyl]-9-hydroxy-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[(cyclohexylamino)methyl]-9-hydroxy-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 121384876) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(cyclohexylamino)methyl]-9-hydroxy-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(cyclohexylamino)methyl]-9-hydroxy-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID121384876
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[(cyclohexylamino)methyl]-9-hydroxy-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(O)c2nc(CNC3CCCCC3)cc(=O)n12
InChIInChI=1S/C16H21N3O2/c1-11-7-8-14(20)16-18-13(9-15(21)19(11)16)10-17-12-5-3-2-4-6-12/h7-9,12,17,20H,2-6,10H2,1H3
InChIKeySHVAJXMSQJXQDC-UHFFFAOYSA-N
XLogP2.13
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclohexylamino)methyl]-9-hydroxy-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(cyclohexylamino)methyl]-9-hydroxy-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 121384876) is 2-[(cyclohexylamino)methyl]-9-hydroxy-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(cyclohexylamino)methyl]-9-hydroxy-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(cyclohexylamino)methyl]-9-hydroxy-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc(O)c2nc(CNC3CCCCC3)cc(=O)n12.
What is the InChIKey of 2-[(cyclohexylamino)methyl]-9-hydroxy-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SHVAJXMSQJXQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-7-8-14(20)16-18-13(9-15(21)19(11)16)10-17-12-5-3-2-4-6-12/h7-9,12,17,20H,2-6,10H2,1H3.
What are the key properties of 2-[(cyclohexylamino)methyl]-9-hydroxy-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(cyclohexylamino)methyl]-9-hydroxy-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 287.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohexylamino)methyl]-9-hydroxy-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 121384876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).