4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one

C11H19N3O2 — CID 136857363

IUPAC4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(CCCO)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-11(2,4-3-5-15)7-12-9-6-10(16)14-8-13-9/h6,8,15H,3-5,7H2,1-2H3,(H2,12,13,14,16)
InChIKeyCOPXVUJLPFIHLQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.98
Rot. Bonds6

About 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one

4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136857363) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
PubChem CID136857363
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(CCCO)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-11(2,4-3-5-15)7-12-9-6-10(16)14-8-13-9/h6,8,15H,3-5,7H2,1-2H3,(H2,12,13,14,16)
InChIKeyCOPXVUJLPFIHLQ-UHFFFAOYSA-N
XLogP0.98
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-(((1-(hydroxymethyl)cyclobutyl)methyl)amino)-4-pyrimidinol
CID 135460856
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703828
4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703837
4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704101
4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759219
4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766323
4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786674
4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847961
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847970
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857355
5-amino-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136857359
5-bromo-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136857360

Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one (CID 136857363) is 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one is CC(C)(CCCO)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is COPXVUJLPFIHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,4-3-5-15)7-12-9-6-10(16)14-8-13-9/h6,8,15H,3-5,7H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one?
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136857363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).