2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H23N3O2 — CID 103949942

IUPAC2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)(C)C(CCO)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)13(7-9-20)17-11-12-10-15(21)19-8-5-4-6-14(19)18-12/h4-6,8,10,13,17,20H,7,9,11H2,1-3H3
InChIKeyYIONNLGHFAANMM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.58
Rot. Bonds5

About 2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 103949942) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID103949942
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)(C)C(CCO)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)13(7-9-20)17-11-12-10-15(21)19-8-5-4-6-14(19)18-12/h4-6,8,10,13,17,20H,7,9,11H2,1-3H3
InChIKeyYIONNLGHFAANMM-UHFFFAOYSA-N
XLogP1.58
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 103949942) is 2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CC(C)(C)C(CCO)NCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YIONNLGHFAANMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)13(7-9-20)17-11-12-10-15(21)19-8-5-4-6-14(19)18-12/h4-6,8,10,13,17,20H,7,9,11H2,1-3H3.
What are the key properties of 2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 289.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 103949942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).