5-amino-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one

C10H18N4O2 — CID 136976072

IUPAC5-amino-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one
SMILESCCC(O)(CC)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-3-10(16,4-2)5-12-8-7(11)9(15)14-6-13-8/h6,16H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyGOYIKGKRQCYNTL-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.32
Rot. Bonds5

About 5-amino-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136976072) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-amino-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one
PubChem CID136976072
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-amino-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one
SMILESCCC(O)(CC)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-3-10(16,4-2)5-12-8-7(11)9(15)14-6-13-8/h6,16H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyGOYIKGKRQCYNTL-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-Hydroxy-1-methylpiperidin-4-yl)methyl]-9-methyl-7,8-dihydropurin-6-one
CID 167160566
5-amino-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696645
5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703841
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-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864257
5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136869190
5-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870592
4-[(2-ethyl-2-hydroxybutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956751
4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 136956754
5-amino-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one
CID 136975421
5-amino-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976061

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one (CID 136976072) is 5-amino-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one is CCC(O)(CC)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is GOYIKGKRQCYNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-10(16,4-2)5-12-8-7(11)9(15)14-6-13-8/h6,16H,3-5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).