2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine

C12H17BrN4 — CID 116796943

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine
SMILESNc1cc(Br)nc(N2CCCC3CCCC32)n1
InChIInChI=1S/C12H17BrN4/c13-10-7-11(14)16-12(15-10)17-6-2-4-8-3-1-5-9(8)17/h7-9H,1-6H2,(H2,14,15,16)
InChIKeyMBLIIUSQIILWEF-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.59
Rot. Bonds1

About 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine (PubChem CID 116796943) has the molecular formula C12H17BrN4 and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine
PubChem CID116796943
Molecular FormulaC12H17BrN4
Molecular Weight297.20 g/mol
Exact Mass296.06
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine
SMILESNc1cc(Br)nc(N2CCCC3CCCC32)n1
InChIInChI=1S/C12H17BrN4/c13-10-7-11(14)16-12(15-10)17-6-2-4-8-3-1-5-9(8)17/h7-9H,1-6H2,(H2,14,15,16)
InChIKeyMBLIIUSQIILWEF-UHFFFAOYSA-N
XLogP2.59
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine with MolForge

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Related Compounds

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 116796481
6-bromo-2-(2,4-dimethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 116797521
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine
CID 102729187
4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80820078
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine
CID 107542080
6-bromo-2-(2,5-dimethylmorpholin-4-yl)pyrimidin-4-amine
CID 116796451
(4aR,8aR)-1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727553
6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
CID 116797018
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-ethoxy-1,3,5-triazin-2-amine
CID 102729128
[4-(4-amino-6-bromopyrimidin-2-yl)morpholin-3-yl]methanol
CID 116797527
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylpyridin-3-amine
CID 79176626
1-(3-bromo-5-methyl-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 105367974

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine (CID 116796943) is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine is Nc1cc(Br)nc(N2CCCC3CCCC32)n1.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine?
The InChIKey is MBLIIUSQIILWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4/c13-10-7-11(14)16-12(15-10)17-6-2-4-8-3-1-5-9(8)17/h7-9H,1-6H2,(H2,14,15,16).
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine?
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine has a molecular weight of 297.20 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine is sourced from PubChem (CID 116796943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).