2-(4-fluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane

C10H12FN3 — CID 174751426

IUPAC2-(4-fluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane
SMILESFc1ccnc(C2CC23CCNC3)n1
InChIInChI=1S/C10H12FN3/c11-8-1-3-13-9(14-8)7-5-10(7)2-4-12-6-10/h1,3,7,12H,2,4-6H2
InChIKeyUCRCOLVWPYJMEG-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.08
Rot. Bonds1

About 2-(4-fluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane

2-(4-fluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane (PubChem CID 174751426) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(4-fluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name2-(4-fluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane
PubChem CID174751426
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name2-(4-fluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane
SMILESFc1ccnc(C2CC23CCNC3)n1
InChIInChI=1S/C10H12FN3/c11-8-1-3-13-9(14-8)7-5-10(7)2-4-12-6-10/h1,3,7,12H,2,4-6H2
InChIKeyUCRCOLVWPYJMEG-UHFFFAOYSA-N
XLogP1.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 3233093
2-Cyclopentyl-4-pyrimidinamine
CID 45787581
10,10-Difluoro-2-(pyrimidin-2-yl)-2,7-diazaspiro[4.5]decane
CID 118739006
2-(Pyrrolidin-3-yl)pyrimidine dihydrochloride
CID 132327935
2-[rel-(3S,4R)-3-cyclopropyl-4-(dimethylamino)-1-pyrrolidinyl]-N-ethyl-4-pyrimidinamine dihydrochloride
CID 72912216
5-fluoro-N~4~-methyl-N~2~-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 122569408
6,6-Dimethyl-3-(2-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane
CID 136528530
2-(Pyrrolidin-3-YL)pyrimidine
CID 3767451
2-(Piperidin-4-YL)pyrimidine
CID 15516969
8-[2-(Trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane
CID 59505238
5-Fluoro-2-pyrrolidin-3-ylpyrimidine
CID 67480028
N-[[(1R,2R)-2-fluorocyclohexyl]methyl]pyrimidin-2-amine
CID 71099772

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane?
The IUPAC name of 2-(4-fluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane (CID 174751426) is 2-(4-fluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane.
What is the SMILES notation for 2-(4-fluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane?
The canonical SMILES for 2-(4-fluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane is Fc1ccnc(C2CC23CCNC3)n1.
What is the InChIKey of 2-(4-fluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane?
The InChIKey is UCRCOLVWPYJMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c11-8-1-3-13-9(14-8)7-5-10(7)2-4-12-6-10/h1,3,7,12H,2,4-6H2.
What are the key properties of 2-(4-fluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane?
2-(4-fluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane has a molecular weight of 193.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane is sourced from PubChem (CID 174751426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).