4-N-methyl-2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine

C8H15N7 — CID 141335797

IUPAC4-N-methyl-2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N)nc(NC2CCNC2)n1
InChIInChI=1S/C8H15N7/c1-10-7-13-6(9)14-8(15-7)12-5-2-3-11-4-5/h5,11H,2-4H2,1H3,(H4,9,10,12,13,14,15)
InChIKeyWQRCESYVLKFKDE-UHFFFAOYSA-N
MW209.26 g/mol
LogP-0.73
Rot. Bonds3

About 4-N-methyl-2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine

4-N-methyl-2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 141335797) has the molecular formula C8H15N7 and a molecular weight of 209.26 g/mol. Its IUPAC name is 4-N-methyl-2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-methyl-2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID141335797
Molecular FormulaC8H15N7
Molecular Weight209.26 g/mol
Exact Mass209.14
IUPAC Name4-N-methyl-2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N)nc(NC2CCNC2)n1
InChIInChI=1S/C8H15N7/c1-10-7-13-6(9)14-8(15-7)12-5-2-3-11-4-5/h5,11H,2-4H2,1H3,(H4,9,10,12,13,14,15)
InChIKeyWQRCESYVLKFKDE-UHFFFAOYSA-N
XLogP-0.73
TPSA100.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-methyl-2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine (CID 141335797) is 4-N-methyl-2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-methyl-2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-methyl-2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine is CNc1nc(N)nc(NC2CCNC2)n1.
What is the InChIKey of 4-N-methyl-2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WQRCESYVLKFKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N7/c1-10-7-13-6(9)14-8(15-7)12-5-2-3-11-4-5/h5,11H,2-4H2,1H3,(H4,9,10,12,13,14,15).
What are the key properties of 4-N-methyl-2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine?
4-N-methyl-2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 209.26 g/mol, XLogP of -0.73, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 141335797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).