4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one

C11H19N3O3 — CID 136864248

IUPAC4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCOCCC(C)(O)CNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O3/c1-8-13-9(6-10(15)14-8)12-7-11(2,16)4-5-17-3/h6,16H,4-5,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyUPBRFFSVSIFKCW-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.28
Rot. Bonds6

About 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136864248) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136864248
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCOCCC(C)(O)CNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O3/c1-8-13-9(6-10(15)14-8)12-7-11(2,16)4-5-17-3/h6,16H,4-5,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyUPBRFFSVSIFKCW-UHFFFAOYSA-N
XLogP0.28
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675562
4-[(3-hydroxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136675563
4-[(3-hydroxyoxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136675566
2-cyclopropyl-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675568
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136675573
4-[(1-methoxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136696643
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703824
2-ethyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703830
4-[(2-hydroxy-4-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703833
2-ethyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703839
4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136723588
2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723598

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136864248) is 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one is COCCC(C)(O)CNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UPBRFFSVSIFKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8-13-9(6-10(15)14-8)12-7-11(2,16)4-5-17-3/h6,16H,4-5,7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136864248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).