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

C10H16BrN3O2 — CID 136956971

IUPAC5-bromo-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one
SMILESCCC(CCO)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-2-7(3-4-15)5-12-9-8(11)10(16)14-6-13-9/h6-7,15H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyVTVAHGLYNKICRF-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.35
Rot. Bonds6

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

5-bromo-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136956971) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-bromo-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one
PubChem CID136956971
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name5-bromo-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one
SMILESCCC(CCO)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-2-7(3-4-15)5-12-9-8(11)10(16)14-6-13-9/h6-7,15H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyVTVAHGLYNKICRF-UHFFFAOYSA-N
XLogP1.35
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.35
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-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704102
5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756220
5-bromo-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759220
5-bromo-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766322
5-bromo-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772450
5-bromo-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772475
5-bromo-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817759
5-bromo-4-[(3-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136823127
5-bromo-4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847962
5-bromo-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849672
5-bromo-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857351

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one (CID 136956971) is 5-bromo-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one is CCC(CCO)CNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is VTVAHGLYNKICRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-2-7(3-4-15)5-12-9-8(11)10(16)14-6-13-9/h6-7,15H,2-5H2,1H3,(H2,12,13,14,16).
What are the key properties of 5-bromo-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 290.16 g/mol, XLogP of 1.35, 6 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-4-hydroxybutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).