2-[[(2-hydroxy-4-methylpentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H21N3O2 — CID 107152458

IUPAC2-[[(2-hydroxy-4-methylpentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)CC(O)CNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H21N3O2/c1-11(2)7-13(19)10-16-9-12-8-15(20)18-6-4-3-5-14(18)17-12/h3-6,8,11,13,16,19H,7,9-10H2,1-2H3
InChIKeyMKRYXMKQNYTQRL-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.19
Rot. Bonds6

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

2-[[(2-hydroxy-4-methylpentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 107152458) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2-hydroxy-4-methylpentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID107152458
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[[(2-hydroxy-4-methylpentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)CC(O)CNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H21N3O2/c1-11(2)7-13(19)10-16-9-12-8-15(20)18-6-4-3-5-14(18)17-12/h3-6,8,11,13,16,19H,7,9-10H2,1-2H3
InChIKeyMKRYXMKQNYTQRL-UHFFFAOYSA-N
XLogP1.19
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-Hydroxy-2-[(pentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 121384996
8-bromo-2-[[[(2S)-2-hydroxypropyl]amino]methyl]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 156822354
8-Bromo-2-[(2-hydroxypropylamino)methyl]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 166692945
2-[[[(2R)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723135
2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723362
2-[[[(2S)-2-hydroxypropyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 168723380
2-[[[(2S)-2-hydroxypropyl]amino]methyl]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 168723382
2-[[(3-Hydroxy-3-methylcyclobutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 175900147
2-[(1-Hydroxypropan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104709
2-[(1-Hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671632
2-[[(1-Hydroxy-2-methylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671993
2-[(2-Hydroxypropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672278

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 107152458) is 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CC(C)CC(O)CNCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MKRYXMKQNYTQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)7-13(19)10-16-9-12-8-15(20)18-6-4-3-5-14(18)17-12/h3-6,8,11,13,16,19H,7,9-10H2,1-2H3.
What are the key properties of 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(2-hydroxy-4-methylpentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 275.35 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 107152458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).