2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine

C12H19N5 — CID 116795790

IUPAC2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine
SMILESNc1ccnc(NC2CCN3CCCCC23)n1
InChIInChI=1S/C12H19N5/c13-11-4-6-14-12(16-11)15-9-5-8-17-7-2-1-3-10(9)17/h4,6,9-10H,1-3,5,7-8H2,(H3,13,14,15,16)
InChIKeyQNWNTFLQRSXEMH-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.10
Rot. Bonds2

About 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine

2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine (PubChem CID 116795790) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine
PubChem CID116795790
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine
SMILESNc1ccnc(NC2CCN3CCCCC23)n1
InChIInChI=1S/C12H19N5/c13-11-4-6-14-12(16-11)15-9-5-8-17-7-2-1-3-10(9)17/h4,6,9-10H,1-3,5,7-8H2,(H3,13,14,15,16)
InChIKeyQNWNTFLQRSXEMH-UHFFFAOYSA-N
XLogP1.10
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrimidine-2,4-diamine
CID 116795448
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine
CID 80653240
(1S,8aR)-N-(5-chloropyrimidin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 97159889
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyridine-2,5-diamine
CID 54968403
2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine
CID 116795796
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64828705
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-ethylpyrimidine-4,6-diamine
CID 80934865
2-N-(7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrimidine-2,4-diamine
CID 175860154
2-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 116797194
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine
CID 80784788
1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methylbenzene-1,4-diamine
CID 54968255
N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 80904257

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine (CID 116795790) is 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine is Nc1ccnc(NC2CCN3CCCCC23)n1.
What is the InChIKey of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is QNWNTFLQRSXEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c13-11-4-6-14-12(16-11)15-9-5-8-17-7-2-1-3-10(9)17/h4,6,9-10H,1-3,5,7-8H2,(H3,13,14,15,16).
What are the key properties of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine?
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 233.32 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116795790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).