2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine

C13H15Cl2N5 — CID 753616

IUPAC2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(Cl)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H15Cl2N5/c1-13(2,3)20-12-18-10(15)17-11(19-12)16-9-6-4-8(14)5-7-9/h4-7H,1-3H3,(H2,16,17,18,19,20)
InChIKeyGPFVCFPWFXVYQR-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.13
Rot. Bonds3

About 2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine

2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 753616) has the molecular formula C13H15Cl2N5 and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID753616
Molecular FormulaC13H15Cl2N5
Molecular Weight312.20 g/mol
Exact Mass311.07
IUPAC Name2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(Cl)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H15Cl2N5/c1-13(2,3)20-12-18-10(15)17-11(19-12)16-9-6-4-8(14)5-7-9/h4-7H,1-3H3,(H2,16,17,18,19,20)
InChIKeyGPFVCFPWFXVYQR-UHFFFAOYSA-N
XLogP4.13
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-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

Related Compounds

4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 20645289
4-chloro-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 14362435
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 2837386
2-N-tert-butyl-4-N-[4-[chloro(difluoro)methoxy]phenyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 1279309
6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
CID 758948
6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80760168
[4-chloro-6-(4-chloroanilino)-1,3,5-triazin-2-yl]-methylcyanamide
CID 826219
4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine
CID 149100752
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
4-N-[[3-[[[4-(4-tert-butylanilino)-6-chloro-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-2-N-(4-tert-butylphenyl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 101120335
4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine
CID 102176522

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine (CID 753616) is 2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine is CC(C)(C)Nc1nc(Cl)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GPFVCFPWFXVYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N5/c1-13(2,3)20-12-18-10(15)17-11(19-12)16-9-6-4-8(14)5-7-9/h4-7H,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 312.20 g/mol, XLogP of 4.13, 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-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 753616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).