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

C14H22N4 — CID 122560902

IUPAC(1R,5S)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.2.1]octan-8-amine
SMILESCCCc1cnc(N2C[C@H]3CC[C@@H](C2)C3N)nc1
InChIInChI=1S/C14H22N4/c1-2-3-10-6-16-14(17-7-10)18-8-11-4-5-12(9-18)13(11)15/h6-7,11-13H,2-5,8-9,15H2,1H3/t11-,12+,13?
InChIKeyMHIDZTRBHGQOKT-FUNVUKJBSA-N
MW246.36 g/mol
LogP1.60
Rot. Bonds3

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

(1R,5S)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 122560902) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is (1R,5S)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name(1R,5S)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID122560902
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name(1R,5S)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.2.1]octan-8-amine
SMILESCCCc1cnc(N2C[C@H]3CC[C@@H](C2)C3N)nc1
InChIInChI=1S/C14H22N4/c1-2-3-10-6-16-14(17-7-10)18-8-11-4-5-12(9-18)13(11)15/h6-7,11-13H,2-5,8-9,15H2,1H3/t11-,12+,13?
InChIKeyMHIDZTRBHGQOKT-FUNVUKJBSA-N
XLogP1.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,5S)-3-(5-propylpyrimidin-2-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-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of (1R,5S)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.2.1]octan-8-amine (CID 122560902) is (1R,5S)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for (1R,5S)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for (1R,5S)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.2.1]octan-8-amine is CCCc1cnc(N2C[C@H]3CC[C@@H](C2)C3N)nc1.
What is the InChIKey of (1R,5S)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is MHIDZTRBHGQOKT-FUNVUKJBSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-3-10-6-16-14(17-7-10)18-8-11-4-5-12(9-18)13(11)15/h6-7,11-13H,2-5,8-9,15H2,1H3/t11-,12+,13?.
What are the key properties of (1R,5S)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.2.1]octan-8-amine?
(1R,5S)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 246.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 122560902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).