7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane

C10H13FN4 — CID 170607583

IUPAC7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane
SMILESFc1cnc(N2CCNC3(CC3)C2)nc1
InChIInChI=1S/C10H13FN4/c11-8-5-12-9(13-6-8)15-4-3-14-10(7-15)1-2-10/h5-6,14H,1-4,7H2
InChIKeyJOHMQABDNQRFRS-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.56
Rot. Bonds1

About 7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane

7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane (PubChem CID 170607583) has the molecular formula C10H13FN4 and a molecular weight of 208.24 g/mol. Its IUPAC name is 7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane.

Molecular Properties

Compound Name7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane
PubChem CID170607583
Molecular FormulaC10H13FN4
Molecular Weight208.24 g/mol
Exact Mass208.11
IUPAC Name7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane
SMILESFc1cnc(N2CCNC3(CC3)C2)nc1
InChIInChI=1S/C10H13FN4/c11-8-5-12-9(13-6-8)15-4-3-14-10(7-15)1-2-10/h5-6,14H,1-4,7H2
InChIKeyJOHMQABDNQRFRS-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

(5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 97450270
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
7-phenyl-4,7-diazaspiro[2.5]octane
CID 146100859
9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane
CID 83082638
4-(5-fluoropyrimidin-2-yl)thiomorpholine
CID 119103581
5-chloro-2-(3,3-dimethylpiperazin-1-yl)pyrimidine
CID 82994053
3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 126856917
3,3-difluoro-1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 135382224
2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 134077441
4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64926208
5-fluoro-2-(4-methylidenepiperidin-1-yl)pyrimidine
CID 126779573
(5S,9S)-7-(5-fluoropyrimidin-2-yl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124831163

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane?
The IUPAC name of 7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane (CID 170607583) is 7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane.
What is the SMILES notation for 7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane?
The canonical SMILES for 7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane is Fc1cnc(N2CCNC3(CC3)C2)nc1.
What is the InChIKey of 7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane?
The InChIKey is JOHMQABDNQRFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4/c11-8-5-12-9(13-6-8)15-4-3-14-10(7-15)1-2-10/h5-6,14H,1-4,7H2.
What are the key properties of 7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane?
7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]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 7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane is sourced from PubChem (CID 170607583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).