5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one

C11H18BrN3O2 — CID 136704102

IUPAC5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
SMILESCCCC(CCO)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H18BrN3O2/c1-2-3-8(4-5-16)6-13-10-9(12)11(17)15-7-14-10/h7-8,16H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyZAGLFMVDFPJDER-UHFFFAOYSA-N
MW304.19 g/mol
LogP1.74
Rot. Bonds7

About 5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one

5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one (PubChem CID 136704102) has the molecular formula C11H18BrN3O2 and a molecular weight of 304.19 g/mol. Its IUPAC name is 5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
PubChem CID136704102
Molecular FormulaC11H18BrN3O2
Molecular Weight304.19 g/mol
Exact Mass303.06
IUPAC Name5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
SMILESCCCC(CCO)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H18BrN3O2/c1-2-3-8(4-5-16)6-13-10-9(12)11(17)15-7-14-10/h7-8,16H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyZAGLFMVDFPJDER-UHFFFAOYSA-N
XLogP1.74
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703829
5-bromo-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703838
4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704099
4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704101
5-bromo-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746828
5-bromo-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746840
5-bromo-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772450
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-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one (CID 136704102) is 5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one is CCCC(CCO)CNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one?
The InChIKey is ZAGLFMVDFPJDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2/c1-2-3-8(4-5-16)6-13-10-9(12)11(17)15-7-14-10/h7-8,16H,2-6H2,1H3,(H2,13,14,15,17).
What are the key properties of 5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one?
5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one has a molecular weight of 304.19 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136704102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).