3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C12H15N3O2 — CID 175900049

IUPAC3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H](O)CNCc1cnc2ccccn2c1=O
InChIInChI=1S/C12H15N3O2/c1-9(16)6-13-7-10-8-14-11-4-2-3-5-15(11)12(10)17/h2-5,8-9,13,16H,6-7H2,1H3/t9-/m0/s1
InChIKeyCILUPFMRFINITB-VIFPVBQESA-N
MW233.27 g/mol
LogP0.16
Rot. Bonds4

About 3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 175900049) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID175900049
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H](O)CNCc1cnc2ccccn2c1=O
InChIInChI=1S/C12H15N3O2/c1-9(16)6-13-7-10-8-14-11-4-2-3-5-15(11)12(10)17/h2-5,8-9,13,16H,6-7H2,1H3/t9-/m0/s1
InChIKeyCILUPFMRFINITB-VIFPVBQESA-N
XLogP0.16
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 175900049) is 3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is C[C@H](O)CNCc1cnc2ccccn2c1=O.
What is the InChIKey of 3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CILUPFMRFINITB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(16)6-13-7-10-8-14-11-4-2-3-5-15(11)12(10)17/h2-5,8-9,13,16H,6-7H2,1H3/t9-/m0/s1.
What are the key properties of 3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 233.27 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 175900049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).