4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C15H20N6 — CID 80756957

IUPAC4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(c1ccccc1)c1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C15H20N6/c1-2-21(12-8-4-3-5-9-12)15-18-13(16)17-14(19-15)20-10-6-7-11-20/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,16,17,18,19)
InChIKeyCDBLEPDDOHIVAR-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.21
Rot. Bonds4

About 4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80756957) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80756957
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(c1ccccc1)c1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C15H20N6/c1-2-21(12-8-4-3-5-9-12)15-18-13(16)17-14(19-15)20-10-6-7-11-20/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,16,17,18,19)
InChIKeyCDBLEPDDOHIVAR-UHFFFAOYSA-N
XLogP2.21
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80756957) is 4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCN(c1ccccc1)c1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is CDBLEPDDOHIVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-2-21(12-8-4-3-5-9-12)15-18-13(16)17-14(19-15)20-10-6-7-11-20/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 284.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80756957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).