N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C12H18N4 — CID 75365664

IUPACN-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESc1cnc(NC2CCN3CCCC3C2)nc1
InChIInChI=1S/C12H18N4/c1-3-11-9-10(4-8-16(11)7-1)15-12-13-5-2-6-14-12/h2,5-6,10-11H,1,3-4,7-9H2,(H,13,14,15)
InChIKeyCEDNNISAJTWLRV-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.52
Rot. Bonds2

About N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 75365664) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID75365664
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESc1cnc(NC2CCN3CCCC3C2)nc1
InChIInChI=1S/C12H18N4/c1-3-11-9-10(4-8-16(11)7-1)15-12-13-5-2-6-14-12/h2,5-6,10-11H,1,3-4,7-9H2,(H,13,14,15)
InChIKeyCEDNNISAJTWLRV-UHFFFAOYSA-N
XLogP1.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 75365664) is N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is c1cnc(NC2CCN3CCCC3C2)nc1.
What is the InChIKey of N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is CEDNNISAJTWLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-11-9-10(4-8-16(11)7-1)15-12-13-5-2-6-14-12/h2,5-6,10-11H,1,3-4,7-9H2,(H,13,14,15).
What are the key properties of N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 218.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 75365664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).