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

C17H23N3O2 — CID 110881785

IUPAC2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN(CCO)C2CCCCC2)nc2ccccn12
InChIInChI=1S/C17H23N3O2/c21-11-10-19(15-6-2-1-3-7-15)13-14-12-17(22)20-9-5-4-8-16(20)18-14/h4-5,8-9,12,15,21H,1-3,6-7,10-11,13H2
InChIKeyVHUVFICGKCTZEC-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.82
Rot. Bonds5

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

2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 110881785) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID110881785
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN(CCO)C2CCCCC2)nc2ccccn12
InChIInChI=1S/C17H23N3O2/c21-11-10-19(15-6-2-1-3-7-15)13-14-12-17(22)20-9-5-4-8-16(20)18-14/h4-5,8-9,12,15,21H,1-3,6-7,10-11,13H2
InChIKeyVHUVFICGKCTZEC-UHFFFAOYSA-N
XLogP1.82
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 60510332
7-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 110881828
2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92849825
2-[(4-hydroxypiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42883595
7-chloro-2-[[cyclopropyl(4-hydroxybutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 111431994
2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62046354
2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671689
3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 61009236
2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18087389
2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51250244
2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 111103334
2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
CID 47056018

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 110881785) is 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN(CCO)C2CCCCC2)nc2ccccn12.
What is the InChIKey of 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VHUVFICGKCTZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-11-10-19(15-6-2-1-3-7-15)13-14-12-17(22)20-9-5-4-8-16(20)18-14/h4-5,8-9,12,15,21H,1-3,6-7,10-11,13H2.
What are the key properties of 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 301.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 110881785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).