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

C14H21ClN4 — CID 80936085

IUPACN-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCCc1nc(Cl)cc(NC2CCN3CCCCC23)n1
InChIInChI=1S/C14H21ClN4/c1-2-13-17-12(15)9-14(18-13)16-10-6-8-19-7-4-3-5-11(10)19/h9-11H,2-8H2,1H3,(H,16,17,18)
InChIKeyQRSBYKNBNHAKNI-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.73
Rot. Bonds3

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

N-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 80936085) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID80936085
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC NameN-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCCc1nc(Cl)cc(NC2CCN3CCCCC23)n1
InChIInChI=1S/C14H21ClN4/c1-2-13-17-12(15)9-14(18-13)16-10-6-8-19-7-4-3-5-11(10)19/h9-11H,2-8H2,1H3,(H,16,17,18)
InChIKeyQRSBYKNBNHAKNI-UHFFFAOYSA-N
XLogP2.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 80936085) is N-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CCc1nc(Cl)cc(NC2CCN3CCCCC23)n1.
What is the InChIKey of N-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is QRSBYKNBNHAKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-2-13-17-12(15)9-14(18-13)16-10-6-8-19-7-4-3-5-11(10)19/h9-11H,2-8H2,1H3,(H,16,17,18).
What are the key properties of N-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 280.80 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 80936085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).