5-amino-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one

C10H18N4O2 — CID 136974654

IUPAC5-amino-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CC(CO)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-6(2)3-7(4-15)14-9-8(11)10(16)13-5-12-9/h5-7,15H,3-4,11H2,1-2H3,(H2,12,13,14,16)
InChIKeyADOWHOOEQHRJLG-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.17
Rot. Bonds5

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

5-amino-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136974654) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-amino-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136974654
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-amino-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CC(CO)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-6(2)3-7(4-15)14-9-8(11)10(16)13-5-12-9/h5-7,15H,3-4,11H2,1-2H3,(H2,12,13,14,16)
InChIKeyADOWHOOEQHRJLG-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

5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703841
5-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746821
5-amino-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136758189
5-amino-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759212
5-amino-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817765
5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819388
5-amino-4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847965
5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847973
5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849671
5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857350
5-amino-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136857359
5-amino-4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864257

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one (CID 136974654) is 5-amino-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one is CC(C)CC(CO)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is ADOWHOOEQHRJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-6(2)3-7(4-15)14-9-8(11)10(16)13-5-12-9/h5-7,15H,3-4,11H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 5-amino-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(1-hydroxy-4-methylpentan-2-yl)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-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).