2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C19H27N3O2 — CID 111103334

IUPAC2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN(CC(C)O)C3CCCCC3)cc(=O)n12
InChIInChI=1S/C19H27N3O2/c1-14-7-6-10-18-20-16(11-19(24)22(14)18)13-21(12-15(2)23)17-8-4-3-5-9-17/h6-7,10-11,15,17,23H,3-5,8-9,12-13H2,1-2H3
InChIKeyLLSDGMZCGXFJBP-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.52
Rot. Bonds5

About 2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 111103334) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID111103334
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN(CC(C)O)C3CCCCC3)cc(=O)n12
InChIInChI=1S/C19H27N3O2/c1-14-7-6-10-18-20-16(11-19(24)22(14)18)13-21(12-15(2)23)17-8-4-3-5-9-17/h6-7,10-11,15,17,23H,3-5,8-9,12-13H2,1-2H3
InChIKeyLLSDGMZCGXFJBP-UHFFFAOYSA-N
XLogP2.52
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8710973
2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8915437
2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 11470702
2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8541214
6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47008628
6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 126817460
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 110881785
N-ethyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]cyclohexanamine
CID 60503884
2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8709404
7-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 110881828
cyclohexyl-[(4-fluorophenyl)methyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8710972
1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea
CID 167829459

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 111103334) is 2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CN(CC(C)O)C3CCCCC3)cc(=O)n12.
What is the InChIKey of 2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LLSDGMZCGXFJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-7-6-10-18-20-16(11-19(24)22(14)18)13-21(12-15(2)23)17-8-4-3-5-9-17/h6-7,10-11,15,17,23H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of 2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 329.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 111103334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).