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

C9H16N6 — CID 25191007

IUPAC4-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C9H16N6/c1-14(2)8-11-7(10)12-9(13-8)15-5-3-4-6-15/h3-6H2,1-2H3,(H2,10,11,12,13)
InChIKeyAQGROVVROKWBRB-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.12
Rot. Bonds2

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

4-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 25191007) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID25191007
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name4-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C9H16N6/c1-14(2)8-11-7(10)12-9(13-8)15-5-3-4-6-15/h3-6H2,1-2H3,(H2,10,11,12,13)
InChIKeyAQGROVVROKWBRB-UHFFFAOYSA-N
XLogP0.12
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 25191007) is 4-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 4-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is AQGROVVROKWBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-14(2)8-11-7(10)12-9(13-8)15-5-3-4-6-15/h3-6H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 208.27 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 25191007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).