2-N,2-N-diethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine

C11H16N6 — CID 103341903

IUPAC2-N,2-N-diethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(-c2ccc[nH]2)n1
InChIInChI=1S/C11H16N6/c1-3-17(4-2)11-15-9(14-10(12)16-11)8-6-5-7-13-8/h5-7,13H,3-4H2,1-2H3,(H2,12,14,15,16)
InChIKeyMPOCODXKQOLOKY-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.30
Rot. Bonds4

About 2-N,2-N-diethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 103341903) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID103341903
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name2-N,2-N-diethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(-c2ccc[nH]2)n1
InChIInChI=1S/C11H16N6/c1-3-17(4-2)11-15-9(14-10(12)16-11)8-6-5-7-13-8/h5-7,13H,3-4H2,1-2H3,(H2,12,14,15,16)
InChIKeyMPOCODXKQOLOKY-UHFFFAOYSA-N
XLogP1.30
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine (CID 103341903) is 2-N,2-N-diethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(-c2ccc[nH]2)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MPOCODXKQOLOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-3-17(4-2)11-15-9(14-10(12)16-11)8-6-5-7-13-8/h5-7,13H,3-4H2,1-2H3,(H2,12,14,15,16).
What are the key properties of 2-N,2-N-diethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 103341903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).