6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine

C8H14N6 — CID 130685335

IUPAC6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CN2CCCC2)n1
InChIInChI=1S/C8H14N6/c9-7-11-6(12-8(10)13-7)5-14-3-1-2-4-14/h1-5H2,(H4,9,10,11,12,13)
InChIKeyQCVUZLLJSYIITD-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.37
Rot. Bonds2

About 6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine

6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 130685335) has the molecular formula C8H14N6 and a molecular weight of 194.24 g/mol. Its IUPAC name is 6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID130685335
Molecular FormulaC8H14N6
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CN2CCCC2)n1
InChIInChI=1S/C8H14N6/c9-7-11-6(12-8(10)13-7)5-14-3-1-2-4-14/h1-5H2,(H4,9,10,11,12,13)
InChIKeyQCVUZLLJSYIITD-UHFFFAOYSA-N
XLogP-0.37
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 130685335) is 6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CN2CCCC2)n1.
What is the InChIKey of 6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QCVUZLLJSYIITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6/c9-7-11-6(12-8(10)13-7)5-14-3-1-2-4-14/h1-5H2,(H4,9,10,11,12,13).
What are the key properties of 6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 194.24 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130685335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).