5-(5-bromopyrimidin-2-yl)-5-azaspiro[2.4]heptane

C10H12BrN3 — CID 131000915

IUPAC5-(5-bromopyrimidin-2-yl)-5-azaspiro[2.4]heptane
SMILESBrc1cnc(N2CCC3(CC3)C2)nc1
InChIInChI=1S/C10H12BrN3/c11-8-5-12-9(13-6-8)14-4-3-10(7-14)1-2-10/h5-6H,1-4,7H2
InChIKeyBGNHMYGMLPSQDF-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.23
Rot. Bonds1

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

5-(5-bromopyrimidin-2-yl)-5-azaspiro[2.4]heptane (PubChem CID 131000915) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 5-(5-bromopyrimidin-2-yl)-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name5-(5-bromopyrimidin-2-yl)-5-azaspiro[2.4]heptane
PubChem CID131000915
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name5-(5-bromopyrimidin-2-yl)-5-azaspiro[2.4]heptane
SMILESBrc1cnc(N2CCC3(CC3)C2)nc1
InChIInChI=1S/C10H12BrN3/c11-8-5-12-9(13-6-8)14-4-3-10(7-14)1-2-10/h5-6H,1-4,7H2
InChIKeyBGNHMYGMLPSQDF-UHFFFAOYSA-N
XLogP2.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane
CID 138050031
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321701
(5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 97450270
4-(5-bromopyrimidin-2-yl)-7,7-dimethyl-1,4-thiazepane
CID 107269428
5-(5-bromo-3-nitro-2-pyridinyl)-5-azaspiro[2.4]heptane
CID 167947252
2-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane
CID 118639949
5-bromo-2-piperazin-1-ylpyrimidine;ethane
CID 143817069
1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol
CID 133362597
ethane;7-methyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.5]nonane
CID 171069701
8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane
CID 113413836
1-(5-bromopyrimidin-2-yl)-1-azaspiro[3.3]heptane
CID 127404332

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromopyrimidin-2-yl)-5-azaspiro[2.4]heptane?
The IUPAC name of 5-(5-bromopyrimidin-2-yl)-5-azaspiro[2.4]heptane (CID 131000915) is 5-(5-bromopyrimidin-2-yl)-5-azaspiro[2.4]heptane.
What is the SMILES notation for 5-(5-bromopyrimidin-2-yl)-5-azaspiro[2.4]heptane?
The canonical SMILES for 5-(5-bromopyrimidin-2-yl)-5-azaspiro[2.4]heptane is Brc1cnc(N2CCC3(CC3)C2)nc1.
What is the InChIKey of 5-(5-bromopyrimidin-2-yl)-5-azaspiro[2.4]heptane?
The InChIKey is BGNHMYGMLPSQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c11-8-5-12-9(13-6-8)14-4-3-10(7-14)1-2-10/h5-6H,1-4,7H2.
What are the key properties of 5-(5-bromopyrimidin-2-yl)-5-azaspiro[2.4]heptane?
5-(5-bromopyrimidin-2-yl)-5-azaspiro[2.4]heptane has a molecular weight of 254.13 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromopyrimidin-2-yl)-5-azaspiro[2.4]heptane is sourced from PubChem (CID 131000915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).