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

C10H18N4O2 — CID 136857350

IUPAC5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(CCO)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-10(2,3-4-15)5-12-8-7(11)9(16)14-6-13-8/h6,15H,3-5,11H2,1-2H3,(H2,12,13,14,16)
InChIKeyXOKGOBPQISUJPU-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.17
Rot. Bonds5

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

5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136857350) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
PubChem CID136857350
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(CCO)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-10(2,3-4-15)5-12-8-7(11)9(16)14-6-13-8/h6,15H,3-5,11H2,1-2H3,(H2,12,13,14,16)
InChIKeyXOKGOBPQISUJPU-UHFFFAOYSA-N
XLogP0.17
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-diamino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136067115
N-[2-amino-4-(4-hydroxybutylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide
CID 136426067
2-amino-9-[4-hydroxy-3,3-bis(hydroxymethyl)butyl]-7,8-dihydro-1H-purin-6-one
CID 136439314
2-amino-4-[[4-hydroxy-2-(hydroxymethyl)butyl]-methylamino]-5-(methylideneamino)-1H-pyrimidin-6-one
CID 137129985
2-amino-4-[[(2R)-4-hydroxy-2-(hydroxymethyl)butyl]-methylamino]-5-(methylideneamino)-1H-pyrimidin-6-one
CID 148328074
5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723590
5-amino-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723600
5-amino-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756213
5-amino-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766319
5-amino-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768850
5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772467
5-amino-4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847965

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one (CID 136857350) is 5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one is CC(C)(CCO)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is XOKGOBPQISUJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-10(2,3-4-15)5-12-8-7(11)9(16)14-6-13-8/h6,15H,3-5,11H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 0.17, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136857350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).