4-N-(2-cyclopropylethyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine

C14H26N6 — CID 80847684

IUPAC4-N-(2-cyclopropylethyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCCC2CC2)nc(N(CC)CC)n1
InChIInChI=1S/C14H26N6/c1-4-15-12-17-13(16-10-9-11-7-8-11)19-14(18-12)20(5-2)6-3/h11H,4-10H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyUUZRQKURIZDCMF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.36
Rot. Bonds9

About 4-N-(2-cyclopropylethyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine

4-N-(2-cyclopropylethyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80847684) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-N-(2-cyclopropylethyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-cyclopropylethyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80847684
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name4-N-(2-cyclopropylethyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCCC2CC2)nc(N(CC)CC)n1
InChIInChI=1S/C14H26N6/c1-4-15-12-17-13(16-10-9-11-7-8-11)19-14(18-12)20(5-2)6-3/h11H,4-10H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyUUZRQKURIZDCMF-UHFFFAOYSA-N
XLogP2.36
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(2-cyclopropylethyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclopropylethyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(2-cyclopropylethyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine (CID 80847684) is 4-N-(2-cyclopropylethyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-cyclopropylethyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-cyclopropylethyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NCCC2CC2)nc(N(CC)CC)n1.
What is the InChIKey of 4-N-(2-cyclopropylethyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UUZRQKURIZDCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-4-15-12-17-13(16-10-9-11-7-8-11)19-14(18-12)20(5-2)6-3/h11H,4-10H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-(2-cyclopropylethyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(2-cyclopropylethyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 278.40 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclopropylethyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80847684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).