8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane

C10H13FN4 — CID 67235031

IUPAC8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESFc1cnc(N2C3CCC2CNC3)nc1
InChIInChI=1S/C10H13FN4/c11-7-3-13-10(14-4-7)15-8-1-2-9(15)6-12-5-8/h3-4,8-9,12H,1-2,5-6H2
InChIKeyPSFATEUAIBEQQI-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.56
Rot. Bonds1

About 8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane

8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 67235031) has the molecular formula C10H13FN4 and a molecular weight of 208.24 g/mol. Its IUPAC name is 8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID67235031
Molecular FormulaC10H13FN4
Molecular Weight208.24 g/mol
Exact Mass208.11
IUPAC Name8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESFc1cnc(N2C3CCC2CNC3)nc1
InChIInChI=1S/C10H13FN4/c11-7-3-13-10(14-4-7)15-8-1-2-9(15)6-12-5-8/h3-4,8-9,12H,1-2,5-6H2
InChIKeyPSFATEUAIBEQQI-UHFFFAOYSA-N
XLogP0.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Pyrimidin-5-yl-2,5-diazabicyclo[2.2.1]heptane
CID 22573910
5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
1-(2-Chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine
CID 51138331
(1S,4S)-2-(5-bromopyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 71173369
3-(4-Chloropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane
CID 44374223
3-(2-Chloro-4-pyrimidinyl)-3,8-diazabicyclo[3.2.1]octane
CID 44374347
3-(5-Bromopyrimidin-2-yl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
CID 134787412
8-(2,2,2-Trifluoroethyl)-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octane
CID 134790071
3-Pyrimidin-5-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
CID 134790425
N,N-dimethyl-1-[2-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-2-yl]piperidin-4-amine
CID 72138323
5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine
CID 97115379
N~2~-(2-azepan-1-yl-1,1-dimethylethyl)-5-fluoro-N~4~-methylpyrimidine-2,4-diamine
CID 124214243

Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane (CID 67235031) is 8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane is Fc1cnc(N2C3CCC2CNC3)nc1.
What is the InChIKey of 8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is PSFATEUAIBEQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4/c11-7-3-13-10(14-4-7)15-8-1-2-9(15)6-12-5-8/h3-4,8-9,12H,1-2,5-6H2.
What are the key properties of 8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane?
8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 208.24 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 67235031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).