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

C6H12N6 — CID 27785

IUPAC2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H12N6/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H5,7,8,9,10,11,12)
InChIKeyUWLXDYQURAUVAJ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.14
Rot. Bonds2

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

2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 27785) has the molecular formula C6H12N6 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID27785
Molecular FormulaC6H12N6
Molecular Weight168.20 g/mol
Exact Mass168.11
IUPAC Name2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H12N6/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H5,7,8,9,10,11,12)
InChIKeyUWLXDYQURAUVAJ-UHFFFAOYSA-N
XLogP-0.14
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

Cyromazine
CID 47866
Simazine
CID 5216
Terbuthylazine
CID 22206
Atrazine
CID 2256
Prometon
CID 4928
Propazine
CID 4937
Deisopropylatrazine
CID 13878
Deethylatrazine
CID 22563
Atraton
CID 15359
Secbumeton
CID 33443
Desmetryn
CID 13904
Cyprazine
CID 24738

Frequently Asked Questions

What is the IUPAC name of 2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (CID 27785) is 2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is CC(C)Nc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UWLXDYQURAUVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H5,7,8,9,10,11,12).
What are the key properties of 2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 168.20 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 27785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).