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

C14H23N5 — CID 64828705

IUPAC4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NC2CCN3CCCCC23)n1
InChIInChI=1S/C14H23N5/c1-18(2)14-15-8-6-13(17-14)16-11-7-10-19-9-4-3-5-12(11)19/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H,15,16,17)
InChIKeyGGDDMLCUEMMMBO-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.58
Rot. Bonds3

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

4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 64828705) 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,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID64828705
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,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NC2CCN3CCCCC23)n1
InChIInChI=1S/C14H23N5/c1-18(2)14-15-8-6-13(17-14)16-11-7-10-19-9-4-3-5-12(11)19/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H,15,16,17)
InChIKeyGGDDMLCUEMMMBO-UHFFFAOYSA-N
XLogP1.58
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 64828705) is 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,2-N-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,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine is CN(C)c1nccc(NC2CCN3CCCCC23)n1.
What is the InChIKey of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is GGDDMLCUEMMMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-18(2)14-15-8-6-13(17-14)16-11-7-10-19-9-4-3-5-12(11)19/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 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,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 64828705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).