5-bromo-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one

C10H14BrN3O2 — CID 136746828

IUPAC5-bromo-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCC2CO)c1Br
InChIInChI=1S/C10H14BrN3O2/c11-8-9(12-5-13-10(8)16)14-7-3-1-2-6(7)4-15/h5-7,15H,1-4H2,(H2,12,13,14,16)
InChIKeyMUDFBFVYNUQGGH-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.11
Rot. Bonds3

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

5-bromo-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one (PubChem CID 136746828) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 5-bromo-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
PubChem CID136746828
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name5-bromo-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCC2CO)c1Br
InChIInChI=1S/C10H14BrN3O2/c11-8-9(12-5-13-10(8)16)14-7-3-1-2-6(7)4-15/h5-7,15H,1-4H2,(H2,12,13,14,16)
InChIKeyMUDFBFVYNUQGGH-UHFFFAOYSA-N
XLogP1.11
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704102
5-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746821
4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136746823
5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746826
4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746827
5-bromo-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746840
5-bromo-4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847962
5-bromo-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136902396
5-bromo-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one
CID 136956305
5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136956567
5-bromo-4-[(2-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136956857
5-bromo-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one
CID 136956875

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one (CID 136746828) is 5-bromo-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CCCC2CO)c1Br.
What is the InChIKey of 5-bromo-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
The InChIKey is MUDFBFVYNUQGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c11-8-9(12-5-13-10(8)16)14-7-3-1-2-6(7)4-15/h5-7,15H,1-4H2,(H2,12,13,14,16).
What are the key properties of 5-bromo-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
5-bromo-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one has a molecular weight of 288.14 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136746828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).