2-N-tert-butyl-6-chloro-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C10H18ClN5 — CID 6427183

IUPAC2-N-tert-butyl-6-chloro-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(Cl)nc(NC(C)(C)C)n1
InChIInChI=1S/C10H18ClN5/c1-6(2)12-8-13-7(11)14-9(15-8)16-10(3,4)5/h6H,1-5H3,(H2,12,13,14,15,16)
InChIKeyWHYHGXUTDPTVTE-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.56
Rot. Bonds3

About 2-N-tert-butyl-6-chloro-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine

2-N-tert-butyl-6-chloro-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 6427183) has the molecular formula C10H18ClN5 and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-N-tert-butyl-6-chloro-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-chloro-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID6427183
Molecular FormulaC10H18ClN5
Molecular Weight243.74 g/mol
Exact Mass243.13
IUPAC Name2-N-tert-butyl-6-chloro-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(Cl)nc(NC(C)(C)C)n1
InChIInChI=1S/C10H18ClN5/c1-6(2)12-8-13-7(11)14-9(15-8)16-10(3,4)5/h6H,1-5H3,(H2,12,13,14,15,16)
InChIKeyWHYHGXUTDPTVTE-UHFFFAOYSA-N
XLogP2.56
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-tert-butyl-6-chloro-4-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 2-N-tert-butyl-6-chloro-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-6-chloro-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 6427183) is 2-N-tert-butyl-6-chloro-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-chloro-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-6-chloro-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(Cl)nc(NC(C)(C)C)n1.
What is the InChIKey of 2-N-tert-butyl-6-chloro-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is WHYHGXUTDPTVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5/c1-6(2)12-8-13-7(11)14-9(15-8)16-10(3,4)5/h6H,1-5H3,(H2,12,13,14,15,16).
What are the key properties of 2-N-tert-butyl-6-chloro-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-6-chloro-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 243.74 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-chloro-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6427183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).