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

C14H23N5 — CID 80807918

IUPAC4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NC2CCN3CCCCC23)n1
InChIInChI=1S/C14H23N5/c1-10-9-16-14(15-2)18-13(10)17-11-6-8-19-7-4-3-5-12(11)19/h9,11-12H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyHRZXOQVRZRDKAN-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.87
Rot. Bonds3

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

4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 80807918) 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-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID80807918
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-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NC2CCN3CCCCC23)n1
InChIInChI=1S/C14H23N5/c1-10-9-16-14(15-2)18-13(10)17-11-6-8-19-7-4-3-5-12(11)19/h9,11-12H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyHRZXOQVRZRDKAN-UHFFFAOYSA-N
XLogP1.87
TPSA53.08 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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80804615
N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 65418838
N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 80904257
2-N,5-dimethyl-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine
CID 80826355
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine
CID 80784796
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylquinolin-2-amine
CID 63229307
(1S,8aR)-N-(5-chloropyrimidin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 97159889
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80804529
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine
CID 83265432
N-(2,5-dichloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79632398
N-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62133315
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80807429

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,5-dimethylpyrimidine-2,4-diamine (CID 80807918) is 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,5-dimethylpyrimidine-2,4-diamine is CNc1ncc(C)c(NC2CCN3CCCCC23)n1.
What is the InChIKey of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is HRZXOQVRZRDKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-10-9-16-14(15-2)18-13(10)17-11-6-8-19-7-4-3-5-12(11)19/h9,11-12H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,5-dimethylpyrimidine-2,4-diamine?
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.87, 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-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80807918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).