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

C14H23N5 — CID 80934865

IUPAC4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NC2CCN3CCCCC23)n1
InChIInChI=1S/C14H23N5/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,(H3,15,16,17,18)
InChIKeySQNIZSQGKAUQIY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.66
Rot. Bonds3

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

4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-ethylpyrimidine-4,6-diamine (PubChem CID 80934865) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-ethylpyrimidine-4,6-diamine
PubChem CID80934865
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NC2CCN3CCCCC23)n1
InChIInChI=1S/C14H23N5/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,(H3,15,16,17,18)
InChIKeySQNIZSQGKAUQIY-UHFFFAOYSA-N
XLogP1.66
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 80936085
2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80934582
6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine
CID 80934511
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80934405
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80784794
4-N-cyclobutyl-2-ethylpyrimidine-4,6-diamine
CID 80934753
[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 104924452
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine
CID 80653240
2-ethyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine
CID 83028170
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyridine-2,5-diamine
CID 54968403
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine
CID 83265432
4-N-(cyclopentylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933112

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-ethylpyrimidine-4,6-diamine (CID 80934865) is 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-ethylpyrimidine-4,6-diamine is CCc1nc(N)cc(NC2CCN3CCCCC23)n1.
What is the InChIKey of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-ethylpyrimidine-4,6-diamine?
The InChIKey is SQNIZSQGKAUQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/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,(H3,15,16,17,18).
What are the key properties of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-ethylpyrimidine-4,6-diamine?
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-ethylpyrimidine-4,6-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80934865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).