2-[[(3R)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one

C14H19N3O2 — CID 99774674

IUPAC2-[[(3R)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)[C@H](O)CCNc1cc(=O)n2ccccc2n1
InChIInChI=1S/C14H19N3O2/c1-10(2)11(18)6-7-15-12-9-14(19)17-8-4-3-5-13(17)16-12/h3-5,8-11,15,18H,6-7H2,1-2H3/t11-/m1/s1
InChIKeyGWVJBLPIHMPOAC-LLVKDONJSA-N
MW261.32 g/mol
LogP1.51
Rot. Bonds5

About 2-[[(3R)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one

2-[[(3R)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 99774674) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[[(3R)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(3R)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one
PubChem CID99774674
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[[(3R)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)[C@H](O)CCNc1cc(=O)n2ccccc2n1
InChIInChI=1S/C14H19N3O2/c1-10(2)11(18)6-7-15-12-9-14(19)17-8-4-3-5-13(17)16-12/h3-5,8-11,15,18H,6-7H2,1-2H3/t11-/m1/s1
InChIKeyGWVJBLPIHMPOAC-LLVKDONJSA-N
XLogP1.51
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(3R)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-(3-Hydroxypropylamino)-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 57897799
2-[(3-Hydroxybutylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 64911637
2-[[(3S)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 99774675
2-[(3-Hydroxy-4-methylpentyl)amino]pyrido[1,2-a]pyrimidin-4-one
CID 102554754
N-(2-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103770787
2-[[(3-Ethyl-2-hydroxypentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106285136
2-[[(2-Hydroxy-4-methylpentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 107152458
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 109380801
N-(3-hydroxy-2,2,4-trimethylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 109381298
N-(3-hydroxy-4-methylpentyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 109963328
N-(4-hydroxy-2-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111447052
N-(4-hydroxy-2-methylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111447162

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(3R)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one (CID 99774674) is 2-[[(3R)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(3R)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(3R)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one is CC(C)[C@H](O)CCNc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[(3R)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GWVJBLPIHMPOAC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(2)11(18)6-7-15-12-9-14(19)17-8-4-3-5-13(17)16-12/h3-5,8-11,15,18H,6-7H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-[[(3R)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one?
2-[[(3R)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 261.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-hydroxy-4-methylpentyl]amino]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 99774674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).