1-(5-bromopyrimidin-2-yl)-N-(2,2-difluoroethyl)azetidine-3-carboxamide

C10H11BrF2N4O — CID 175648192

IUPAC1-(5-bromopyrimidin-2-yl)-N-(2,2-difluoroethyl)azetidine-3-carboxamide
SMILESO=C(NCC(F)F)C1CN(c2ncc(Br)cn2)C1
InChIInChI=1S/C10H11BrF2N4O/c11-7-1-15-10(16-2-7)17-4-6(5-17)9(18)14-3-8(12)13/h1-2,6,8H,3-5H2,(H,14,18)
InChIKeyZXEYQLSIBBEXGI-UHFFFAOYSA-N
MW321.13 g/mol
LogP1.06
Rot. Bonds4

About 1-(5-bromopyrimidin-2-yl)-N-(2,2-difluoroethyl)azetidine-3-carboxamide

1-(5-bromopyrimidin-2-yl)-N-(2,2-difluoroethyl)azetidine-3-carboxamide (PubChem CID 175648192) has the molecular formula C10H11BrF2N4O and a molecular weight of 321.13 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-N-(2,2-difluoroethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-N-(2,2-difluoroethyl)azetidine-3-carboxamide
PubChem CID175648192
Molecular FormulaC10H11BrF2N4O
Molecular Weight321.13 g/mol
Exact Mass320.01
IUPAC Name1-(5-bromopyrimidin-2-yl)-N-(2,2-difluoroethyl)azetidine-3-carboxamide
SMILESO=C(NCC(F)F)C1CN(c2ncc(Br)cn2)C1
InChIInChI=1S/C10H11BrF2N4O/c11-7-1-15-10(16-2-7)17-4-6(5-17)9(18)14-3-8(12)13/h1-2,6,8H,3-5H2,(H,14,18)
InChIKeyZXEYQLSIBBEXGI-UHFFFAOYSA-N
XLogP1.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 120964054
N-(2,2-difluoroethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide
CID 175648194
[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602420
1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106508
N-(2,2-difluoroethyl)-1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 175650065
N-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
CID 165432283
3-(5-bromopyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66370701
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975360
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide
CID 47252261
1-(5-bromopyrimidin-2-yl)azetidin-3-amine
CID 63873842
N-(2,2-difluoroethyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidine-3-carboxamide
CID 175648123

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-N-(2,2-difluoroethyl)azetidine-3-carboxamide?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-N-(2,2-difluoroethyl)azetidine-3-carboxamide (CID 175648192) is 1-(5-bromopyrimidin-2-yl)-N-(2,2-difluoroethyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-N-(2,2-difluoroethyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-N-(2,2-difluoroethyl)azetidine-3-carboxamide is O=C(NCC(F)F)C1CN(c2ncc(Br)cn2)C1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-N-(2,2-difluoroethyl)azetidine-3-carboxamide?
The InChIKey is ZXEYQLSIBBEXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N4O/c11-7-1-15-10(16-2-7)17-4-6(5-17)9(18)14-3-8(12)13/h1-2,6,8H,3-5H2,(H,14,18).
What are the key properties of 1-(5-bromopyrimidin-2-yl)-N-(2,2-difluoroethyl)azetidine-3-carboxamide?
1-(5-bromopyrimidin-2-yl)-N-(2,2-difluoroethyl)azetidine-3-carboxamide has a molecular weight of 321.13 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-N-(2,2-difluoroethyl)azetidine-3-carboxamide is sourced from PubChem (CID 175648192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).