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

C10H16BrN3O2 — CID 136956753

IUPAC5-bromo-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one
SMILESCCC(O)(CC)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-3-10(16,4-2)5-12-8-7(11)9(15)14-6-13-8/h6,16H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyGYKYZLQOVCYETO-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.50
Rot. Bonds5

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

5-bromo-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136956753) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-bromo-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one
PubChem CID136956753
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name5-bromo-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one
SMILESCCC(O)(CC)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-3-10(16,4-2)5-12-8-7(11)9(15)14-6-13-8/h6,16H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyGYKYZLQOVCYETO-UHFFFAOYSA-N
XLogP1.50
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703838
5-bromo-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817759
5-bromo-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819387
5-bromo-4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864258
5-bromo-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136869191
5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870593
5-bromo-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136956749
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-bromo-4-[(2-hydroxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136956782
5-bromo-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136956797
5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136956906

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one (CID 136956753) is 5-bromo-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one is CCC(O)(CC)CNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is GYKYZLQOVCYETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-3-10(16,4-2)5-12-8-7(11)9(15)14-6-13-8/h6,16H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 290.16 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).