2-N,2-N,6-N-trimethyl-4-N-(1-propylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C14H27N7 — CID 80783238

IUPAC2-N,2-N,6-N-trimethyl-4-N-(1-propylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCN1CCC(Nc2nc(NC)nc(N(C)C)n2)CC1
InChIInChI=1S/C14H27N7/c1-5-8-21-9-6-11(7-10-21)16-13-17-12(15-2)18-14(19-13)20(3)4/h11H,5-10H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyIYASAHYSQVJIPV-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.27
Rot. Bonds6

About 2-N,2-N,6-N-trimethyl-4-N-(1-propylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N,6-N-trimethyl-4-N-(1-propylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80783238) has the molecular formula C14H27N7 and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-N,2-N,6-N-trimethyl-4-N-(1-propylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,6-N-trimethyl-4-N-(1-propylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80783238
Molecular FormulaC14H27N7
Molecular Weight293.42 g/mol
Exact Mass293.23
IUPAC Name2-N,2-N,6-N-trimethyl-4-N-(1-propylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCN1CCC(Nc2nc(NC)nc(N(C)C)n2)CC1
InChIInChI=1S/C14H27N7/c1-5-8-21-9-6-11(7-10-21)16-13-17-12(15-2)18-14(19-13)20(3)4/h11H,5-10H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyIYASAHYSQVJIPV-UHFFFAOYSA-N
XLogP1.27
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N,2-N,6-N-trimethyl-4-N-(1-propylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N-trimethyl-4-N-(1-propylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,6-N-trimethyl-4-N-(1-propylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 80783238) is 2-N,2-N,6-N-trimethyl-4-N-(1-propylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,6-N-trimethyl-4-N-(1-propylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,6-N-trimethyl-4-N-(1-propylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCN1CCC(Nc2nc(NC)nc(N(C)C)n2)CC1.
What is the InChIKey of 2-N,2-N,6-N-trimethyl-4-N-(1-propylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is IYASAHYSQVJIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N7/c1-5-8-21-9-6-11(7-10-21)16-13-17-12(15-2)18-14(19-13)20(3)4/h11H,5-10H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 2-N,2-N,6-N-trimethyl-4-N-(1-propylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,6-N-trimethyl-4-N-(1-propylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 293.42 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N-trimethyl-4-N-(1-propylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80783238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).