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

C15H26N6 — CID 80784794

IUPAC4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NC2CCN3CCCCC23)nc(N)n1
InChIInChI=1S/C15H26N6/c1-2-7-17-13-10-14(20-15(16)19-13)18-11-6-9-21-8-4-3-5-12(11)21/h10-12H,2-9H2,1H3,(H4,16,17,18,19,20)
InChIKeyIIDSAICTGMCGKU-UHFFFAOYSA-N
MW290.42 g/mol
LogP1.92
Rot. Bonds5

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

4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80784794) has the molecular formula C15H26N6 and a molecular weight of 290.42 g/mol. Its IUPAC name is 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80784794
Molecular FormulaC15H26N6
Molecular Weight290.42 g/mol
Exact Mass290.22
IUPAC Name4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NC2CCN3CCCCC23)nc(N)n1
InChIInChI=1S/C15H26N6/c1-2-7-17-13-10-14(20-15(16)19-13)18-11-6-9-21-8-4-3-5-12(11)21/h10-12H,2-9H2,1H3,(H4,16,17,18,19,20)
InChIKeyIIDSAICTGMCGKU-UHFFFAOYSA-N
XLogP1.92
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-ethylpyrimidine-4,6-diamine
CID 80934865
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80813186
6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine
CID 80934511
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 114516943
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814858
N-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 80936085
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856635
2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80934582
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961487
4-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 106029078
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine
CID 80784796

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-propylpyrimidine-2,4,6-triamine (CID 80784794) is 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(NC2CCN3CCCCC23)nc(N)n1.
What is the InChIKey of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is IIDSAICTGMCGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-2-7-17-13-10-14(20-15(16)19-13)18-11-6-9-21-8-4-3-5-12(11)21/h10-12H,2-9H2,1H3,(H4,16,17,18,19,20).
What are the key properties of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-propylpyrimidine-2,4,6-triamine?
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 290.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 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)-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80784794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).