2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C16H23N3O2 — CID 62016189

IUPAC2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(CCCO)C(C)C)cc(=O)n2c1
InChIInChI=1S/C16H23N3O2/c1-12(2)18(7-4-8-20)11-14-9-16(21)19-10-13(3)5-6-15(19)17-14/h5-6,9-10,12,20H,4,7-8,11H2,1-3H3
InChIKeyTUKZCTPWMFOLKG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.60
Rot. Bonds6

About 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 62016189) 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]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID62016189
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(CCCO)C(C)C)cc(=O)n2c1
InChIInChI=1S/C16H23N3O2/c1-12(2)18(7-4-8-20)11-14-9-16(21)19-10-13(3)5-6-15(19)17-14/h5-6,9-10,12,20H,4,7-8,11H2,1-3H3
InChIKeyTUKZCTPWMFOLKG-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]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 62016189) is 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN(CCCO)C(C)C)cc(=O)n2c1.
What is the InChIKey of 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is TUKZCTPWMFOLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(2)18(7-4-8-20)11-14-9-16(21)19-10-13(3)5-6-15(19)17-14/h5-6,9-10,12,20H,4,7-8,11H2,1-3H3.
What are the key properties of 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-7-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]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 62016189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).