5-bromo-4-[(1-hydroxycyclopentyl)methyl-methylamino]-1H-pyrimidin-6-one

C11H16BrN3O2 — CID 136981152

IUPAC5-bromo-4-[(1-hydroxycyclopentyl)methyl-methylamino]-1H-pyrimidin-6-one
SMILESCN(CC1(O)CCCC1)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H16BrN3O2/c1-15(6-11(17)4-2-3-5-11)9-8(12)10(16)14-7-13-9/h7,17H,2-6H2,1H3,(H,13,14,16)
InChIKeyLFXHFOOYLMPELH-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.27
Rot. Bonds3

About 5-bromo-4-[(1-hydroxycyclopentyl)methyl-methylamino]-1H-pyrimidin-6-one

5-bromo-4-[(1-hydroxycyclopentyl)methyl-methylamino]-1H-pyrimidin-6-one (PubChem CID 136981152) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-4-[(1-hydroxycyclopentyl)methyl-methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(1-hydroxycyclopentyl)methyl-methylamino]-1H-pyrimidin-6-one
PubChem CID136981152
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name5-bromo-4-[(1-hydroxycyclopentyl)methyl-methylamino]-1H-pyrimidin-6-one
SMILESCN(CC1(O)CCCC1)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H16BrN3O2/c1-15(6-11(17)4-2-3-5-11)9-8(12)10(16)14-7-13-9/h7,17H,2-6H2,1H3,(H,13,14,16)
InChIKeyLFXHFOOYLMPELH-UHFFFAOYSA-N
XLogP1.27
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819387
5-bromo-4-(4-hydroxy-4-methylazepan-1-yl)-1H-pyrimidin-6-one
CID 136868752
5-bromo-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 136956753
5-bromo-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956756
5-bromo-4-[(2-hydroxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136956782
5-bromo-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956788
4-[(1-hydroxycyclopentyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956795
5-bromo-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136956797
5-bromo-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956813
5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136956906
5-bromo-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136957321
5-bromo-4-[cyclopentylmethyl(methyl)amino]-1H-pyrimidin-6-one
CID 136957860

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-hydroxycyclopentyl)methyl-methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(1-hydroxycyclopentyl)methyl-methylamino]-1H-pyrimidin-6-one (CID 136981152) is 5-bromo-4-[(1-hydroxycyclopentyl)methyl-methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(1-hydroxycyclopentyl)methyl-methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(1-hydroxycyclopentyl)methyl-methylamino]-1H-pyrimidin-6-one is CN(CC1(O)CCCC1)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[(1-hydroxycyclopentyl)methyl-methylamino]-1H-pyrimidin-6-one?
The InChIKey is LFXHFOOYLMPELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-15(6-11(17)4-2-3-5-11)9-8(12)10(16)14-7-13-9/h7,17H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 5-bromo-4-[(1-hydroxycyclopentyl)methyl-methylamino]-1H-pyrimidin-6-one?
5-bromo-4-[(1-hydroxycyclopentyl)methyl-methylamino]-1H-pyrimidin-6-one has a molecular weight of 302.17 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(1-hydroxycyclopentyl)methyl-methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136981152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).