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

C14H17Cl2N5 — CID 1080716

IUPAC2-N-tert-butyl-6-chloro-4-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(Cl)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17Cl2N5/c1-14(2,3)21-13-19-11(16)18-12(20-13)17-8-9-4-6-10(15)7-5-9/h4-7H,8H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyZTLUIEDGRCCOEQ-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.00
Rot. Bonds4

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

2-N-tert-butyl-6-chloro-4-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 1080716) has the molecular formula C14H17Cl2N5 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-N-tert-butyl-6-chloro-4-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-chloro-4-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID1080716
Molecular FormulaC14H17Cl2N5
Molecular Weight326.23 g/mol
Exact Mass325.09
IUPAC Name2-N-tert-butyl-6-chloro-4-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(Cl)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17Cl2N5/c1-14(2,3)21-13-19-11(16)18-12(20-13)17-8-9-4-6-10(15)7-5-9/h4-7H,8H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyZTLUIEDGRCCOEQ-UHFFFAOYSA-N
XLogP4.00
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-chloro-4-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-6-chloro-4-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 1080716) is 2-N-tert-butyl-6-chloro-4-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-chloro-4-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-6-chloro-4-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine is CC(C)(C)Nc1nc(Cl)nc(NCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-tert-butyl-6-chloro-4-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ZTLUIEDGRCCOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N5/c1-14(2,3)21-13-19-11(16)18-12(20-13)17-8-9-4-6-10(15)7-5-9/h4-7H,8H2,1-3H3,(H2,17,18,19,20,21).
What are the key properties of 2-N-tert-butyl-6-chloro-4-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-6-chloro-4-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 326.23 g/mol, XLogP of 4.00, 4 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)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1080716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).