6-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C8H15N5 — CID 22027372

IUPAC6-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(N)nc(NC(C)C)n1
InChIInChI=1S/C8H15N5/c1-4-6-11-7(9)13-8(12-6)10-5(2)3/h5H,4H2,1-3H3,(H3,9,10,11,12,13)
InChIKeySCJBQWWQLKJQRI-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.84
Rot. Bonds3

About 6-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

6-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 22027372) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID22027372
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name6-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(N)nc(NC(C)C)n1
InChIInChI=1S/C8H15N5/c1-4-6-11-7(9)13-8(12-6)10-5(2)3/h5H,4H2,1-3H3,(H3,9,10,11,12,13)
InChIKeySCJBQWWQLKJQRI-UHFFFAOYSA-N
XLogP0.84
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 22027372) is 6-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CCc1nc(N)nc(NC(C)C)n1.
What is the InChIKey of 6-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is SCJBQWWQLKJQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-4-6-11-7(9)13-8(12-6)10-5(2)3/h5H,4H2,1-3H3,(H3,9,10,11,12,13).
What are the key properties of 6-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 181.24 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22027372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).