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

C8H8BrF2N3O — CID 164651910

IUPAC5-bromo-4-[(3,3-difluorocyclobutyl)amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CC(F)(F)C2)c1Br
InChIInChI=1S/C8H8BrF2N3O/c9-5-6(12-3-13-7(5)15)14-4-1-8(10,11)2-4/h3-4H,1-2H2,(H2,12,13,14,15)
InChIKeyHYXDLDQHPHDDKQ-UHFFFAOYSA-N
MW280.07 g/mol
LogP1.74
Rot. Bonds2

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

5-bromo-4-[(3,3-difluorocyclobutyl)amino]-1H-pyrimidin-6-one (PubChem CID 164651910) has the molecular formula C8H8BrF2N3O and a molecular weight of 280.07 g/mol. Its IUPAC name is 5-bromo-4-[(3,3-difluorocyclobutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(3,3-difluorocyclobutyl)amino]-1H-pyrimidin-6-one
PubChem CID164651910
Molecular FormulaC8H8BrF2N3O
Molecular Weight280.07 g/mol
Exact Mass278.98
IUPAC Name5-bromo-4-[(3,3-difluorocyclobutyl)amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CC(F)(F)C2)c1Br
InChIInChI=1S/C8H8BrF2N3O/c9-5-6(12-3-13-7(5)15)14-4-1-8(10,11)2-4/h3-4H,1-2H2,(H2,12,13,14,15)
InChIKeyHYXDLDQHPHDDKQ-UHFFFAOYSA-N
XLogP1.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786688
5-bromo-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819413
5-bromo-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136955983
5-bromo-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136956609
5-bromo-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
CID 136957013
5-bromo-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957050
5-bromo-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136957056
5-bromo-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136957959
5-bromo-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971132
5-bromo-4-[propyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971135
5-bromo-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971138
4-[(3-amino-2,2-difluoropropyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136979147

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3,3-difluorocyclobutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(3,3-difluorocyclobutyl)amino]-1H-pyrimidin-6-one (CID 164651910) is 5-bromo-4-[(3,3-difluorocyclobutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(3,3-difluorocyclobutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(3,3-difluorocyclobutyl)amino]-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CC(F)(F)C2)c1Br.
What is the InChIKey of 5-bromo-4-[(3,3-difluorocyclobutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is HYXDLDQHPHDDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2N3O/c9-5-6(12-3-13-7(5)15)14-4-1-8(10,11)2-4/h3-4H,1-2H2,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-[(3,3-difluorocyclobutyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(3,3-difluorocyclobutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 280.07 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(3,3-difluorocyclobutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 164651910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).