5-bromo-4-[(3-hydroxycyclobutyl)amino]-1H-pyrimidin-6-one

C8H10BrN3O2 — CID 136956898

IUPAC5-bromo-4-[(3-hydroxycyclobutyl)amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CC(O)C2)c1Br
InChIInChI=1S/C8H10BrN3O2/c9-6-7(10-3-11-8(6)14)12-4-1-5(13)2-4/h3-5,13H,1-2H2,(H2,10,11,12,14)
InChIKeyQFPMCWHWUKBBJO-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.47
Rot. Bonds2

About 5-bromo-4-[(3-hydroxycyclobutyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[(3-hydroxycyclobutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136956898) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 5-bromo-4-[(3-hydroxycyclobutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(3-hydroxycyclobutyl)amino]-1H-pyrimidin-6-one
PubChem CID136956898
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name5-bromo-4-[(3-hydroxycyclobutyl)amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CC(O)C2)c1Br
InChIInChI=1S/C8H10BrN3O2/c9-6-7(10-3-11-8(6)14)12-4-1-5(13)2-4/h3-5,13H,1-2H2,(H2,10,11,12,14)
InChIKeyQFPMCWHWUKBBJO-UHFFFAOYSA-N
XLogP0.47
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3-hydroxycyclobutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(3-hydroxycyclobutyl)amino]-1H-pyrimidin-6-one (CID 136956898) is 5-bromo-4-[(3-hydroxycyclobutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(3-hydroxycyclobutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(3-hydroxycyclobutyl)amino]-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CC(O)C2)c1Br.
What is the InChIKey of 5-bromo-4-[(3-hydroxycyclobutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is QFPMCWHWUKBBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c9-6-7(10-3-11-8(6)14)12-4-1-5(13)2-4/h3-5,13H,1-2H2,(H2,10,11,12,14).
What are the key properties of 5-bromo-4-[(3-hydroxycyclobutyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(3-hydroxycyclobutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 260.09 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(3-hydroxycyclobutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).