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

C12H16Cl2N4 — CID 79632398

IUPACN-(2,5-dichloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESClc1ncc(Cl)c(NC2CCN3CCCCC23)n1
InChIInChI=1S/C12H16Cl2N4/c13-8-7-15-12(14)17-11(8)16-9-4-6-18-5-2-1-3-10(9)18/h7,9-10H,1-6H2,(H,15,16,17)
InChIKeyHEPFXWPPRKBZIV-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.82
Rot. Bonds2

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

N-(2,5-dichloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 79632398) has the molecular formula C12H16Cl2N4 and a molecular weight of 287.19 g/mol. Its IUPAC name is N-(2,5-dichloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-(2,5-dichloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID79632398
Molecular FormulaC12H16Cl2N4
Molecular Weight287.19 g/mol
Exact Mass286.08
IUPAC NameN-(2,5-dichloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESClc1ncc(Cl)c(NC2CCN3CCCCC23)n1
InChIInChI=1S/C12H16Cl2N4/c13-8-7-15-12(14)17-11(8)16-9-4-6-18-5-2-1-3-10(9)18/h7,9-10H,1-6H2,(H,15,16,17)
InChIKeyHEPFXWPPRKBZIV-UHFFFAOYSA-N
XLogP2.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(5-bromo-2-chloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79072472
N-(3,5,6-trichloro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 102750709
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
(1S,8aR)-N-(5-chloropyrimidin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 97159889
N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 65418838
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80807918
N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 80904257
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-chloro-1,3-thiazol-2-amine
CID 83152062
2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carbonitrile
CID 174229586
2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine
CID 122417179
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrazine-2-carbonitrile
CID 62673247
N-[2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide
CID 87330140

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 79632398) is N-(2,5-dichloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-(2,5-dichloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-(2,5-dichloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is Clc1ncc(Cl)c(NC2CCN3CCCCC23)n1.
What is the InChIKey of N-(2,5-dichloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is HEPFXWPPRKBZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N4/c13-8-7-15-12(14)17-11(8)16-9-4-6-18-5-2-1-3-10(9)18/h7,9-10H,1-6H2,(H,15,16,17).
What are the key properties of N-(2,5-dichloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-(2,5-dichloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 287.19 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 79632398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).