2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C16H23N3O2 — CID 62015199

IUPAC2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN(CCCO)C(C)C)nc12
InChIInChI=1S/C16H23N3O2/c1-12(2)18(7-5-9-20)11-14-10-15(21)19-8-4-6-13(3)16(19)17-14/h4,6,8,10,12,20H,5,7,9,11H2,1-3H3
InChIKeyRVPKKTSDUYCTDD-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.60
Rot. Bonds6

About 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 62015199) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID62015199
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN(CCCO)C(C)C)nc12
InChIInChI=1S/C16H23N3O2/c1-12(2)18(7-5-9-20)11-14-10-15(21)19-8-4-6-13(3)16(19)17-14/h4,6,8,10,12,20H,5,7,9,11H2,1-3H3
InChIKeyRVPKKTSDUYCTDD-UHFFFAOYSA-N
XLogP1.60
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 62015199) is 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN(CCCO)C(C)C)nc12.
What is the InChIKey of 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RVPKKTSDUYCTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(2)18(7-5-9-20)11-14-10-15(21)19-8-4-6-13(3)16(19)17-14/h4,6,8,10,12,20H,5,7,9,11H2,1-3H3.
What are the key properties of 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 289.38 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 62015199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).