4-(3-cyclopropylpyrrolidin-1-yl)-6-fluoropyrimidine

C11H14FN3 — CID 130855835

IUPAC4-(3-cyclopropylpyrrolidin-1-yl)-6-fluoropyrimidine
SMILESFc1cc(N2CCC(C3CC3)C2)ncn1
InChIInChI=1S/C11H14FN3/c12-10-5-11(14-7-13-10)15-4-3-9(6-15)8-1-2-8/h5,7-9H,1-4,6H2
InChIKeyOPCVTGJWWNMFFX-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.85
Rot. Bonds2

About 4-(3-cyclopropylpyrrolidin-1-yl)-6-fluoropyrimidine

4-(3-cyclopropylpyrrolidin-1-yl)-6-fluoropyrimidine (PubChem CID 130855835) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-(3-cyclopropylpyrrolidin-1-yl)-6-fluoropyrimidine.

Molecular Properties

Compound Name4-(3-cyclopropylpyrrolidin-1-yl)-6-fluoropyrimidine
PubChem CID130855835
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name4-(3-cyclopropylpyrrolidin-1-yl)-6-fluoropyrimidine
SMILESFc1cc(N2CCC(C3CC3)C2)ncn1
InChIInChI=1S/C11H14FN3/c12-10-5-11(14-7-13-10)15-4-3-9(6-15)8-1-2-8/h5,7-9H,1-4,6H2
InChIKeyOPCVTGJWWNMFFX-UHFFFAOYSA-N
XLogP1.85
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Fluoro-6-piperidin-1-ylpyrimidine
CID 115416383
4-Isocyano-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 123556991
2-(4,6-Difluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane
CID 141386275
6-(5-Fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane
CID 170607804
7-(5-Fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane
CID 170608178
(7R)-5-(5-fluoropyrimidin-2-yl)-7-methyl-5-azaspiro[2.4]heptane
CID 172249185
2-(4-Fluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane
CID 174751426
1-(6-Fluoropyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750561
4-(2-Ethyl-5-methylpyrrolidin-1-yl)-6-fluoropyrimidine
CID 83218954
6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102907378
4-Fluoro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103500954
4-(3-Tert-butylpyrrolidin-1-yl)-6-fluoropyrimidine
CID 104489134

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylpyrrolidin-1-yl)-6-fluoropyrimidine?
The IUPAC name of 4-(3-cyclopropylpyrrolidin-1-yl)-6-fluoropyrimidine (CID 130855835) is 4-(3-cyclopropylpyrrolidin-1-yl)-6-fluoropyrimidine.
What is the SMILES notation for 4-(3-cyclopropylpyrrolidin-1-yl)-6-fluoropyrimidine?
The canonical SMILES for 4-(3-cyclopropylpyrrolidin-1-yl)-6-fluoropyrimidine is Fc1cc(N2CCC(C3CC3)C2)ncn1.
What is the InChIKey of 4-(3-cyclopropylpyrrolidin-1-yl)-6-fluoropyrimidine?
The InChIKey is OPCVTGJWWNMFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c12-10-5-11(14-7-13-10)15-4-3-9(6-15)8-1-2-8/h5,7-9H,1-4,6H2.
What are the key properties of 4-(3-cyclopropylpyrrolidin-1-yl)-6-fluoropyrimidine?
4-(3-cyclopropylpyrrolidin-1-yl)-6-fluoropyrimidine has a molecular weight of 207.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylpyrrolidin-1-yl)-6-fluoropyrimidine is sourced from PubChem (CID 130855835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).