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

C9H12BrN3O2 — CID 136957321

IUPAC5-bromo-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2(O)CCC2)c1Br
InChIInChI=1S/C9H12BrN3O2/c10-6-7(12-5-13-8(6)14)11-4-9(15)2-1-3-9/h5,15H,1-4H2,(H2,11,12,13,14)
InChIKeyYDLOGXGLXCRXTQ-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.86
Rot. Bonds3

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

5-bromo-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136957321) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 5-bromo-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136957321
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name5-bromo-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2(O)CCC2)c1Br
InChIInChI=1S/C9H12BrN3O2/c10-6-7(12-5-13-8(6)14)11-4-9(15)2-1-3-9/h5,15H,1-4H2,(H2,11,12,13,14)
InChIKeyYDLOGXGLXCRXTQ-UHFFFAOYSA-N
XLogP0.86
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696651
5-bromo-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819387
5-bromo-4-[(2-cyclopropyl-2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136956671
5-bromo-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136956749
5-bromo-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 136956753
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-[(3-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136956894
5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136956906
5-bromo-4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one
CID 136957310
4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136957322
5-bromo-4-(2-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136957329

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one (CID 136957321) is 5-bromo-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one is O=c1[nH]cnc(NCC2(O)CCC2)c1Br.
What is the InChIKey of 5-bromo-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is YDLOGXGLXCRXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c10-6-7(12-5-13-8(6)14)11-4-9(15)2-1-3-9/h5,15H,1-4H2,(H2,11,12,13,14).
What are the key properties of 5-bromo-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
5-bromo-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 274.12 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).