(1R,5S)-3-(2-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine

C12H18N4 — CID 129232027

IUPAC(1R,5S)-3-(2-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine
SMILESCc1nccc(N2C[C@H]3CC[C@@H](C2)C3N)n1
InChIInChI=1S/C12H18N4/c1-8-14-5-4-11(15-8)16-6-9-2-3-10(7-16)12(9)13/h4-5,9-10,12H,2-3,6-7,13H2,1H3/t9-,10+,12?
InChIKeyOUGZMZBKPAPCFQ-DHHPTOIESA-N
MW218.30 g/mol
LogP0.96
Rot. Bonds1

About (1R,5S)-3-(2-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine

(1R,5S)-3-(2-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 129232027) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is (1R,5S)-3-(2-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name(1R,5S)-3-(2-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID129232027
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name(1R,5S)-3-(2-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine
SMILESCc1nccc(N2C[C@H]3CC[C@@H](C2)C3N)n1
InChIInChI=1S/C12H18N4/c1-8-14-5-4-11(15-8)16-6-9-2-3-10(7-16)12(9)13/h4-5,9-10,12H,2-3,6-7,13H2,1H3/t9-,10+,12?
InChIKeyOUGZMZBKPAPCFQ-DHHPTOIESA-N
XLogP0.96
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,5S)-3-(2-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(2-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of (1R,5S)-3-(2-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine (CID 129232027) is (1R,5S)-3-(2-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for (1R,5S)-3-(2-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for (1R,5S)-3-(2-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine is Cc1nccc(N2C[C@H]3CC[C@@H](C2)C3N)n1.
What is the InChIKey of (1R,5S)-3-(2-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is OUGZMZBKPAPCFQ-DHHPTOIESA-N. The full InChI is InChI=1S/C12H18N4/c1-8-14-5-4-11(15-8)16-6-9-2-3-10(7-16)12(9)13/h4-5,9-10,12H,2-3,6-7,13H2,1H3/t9-,10+,12?.
What are the key properties of (1R,5S)-3-(2-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine?
(1R,5S)-3-(2-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 218.30 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(2-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 129232027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).