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

C14H18ClN5 — CID 778757

IUPAC4-N-benzyl-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(Cl)nc(NCc2ccccc2)n1
InChIInChI=1S/C14H18ClN5/c1-14(2,3)20-13-18-11(15)17-12(19-13)16-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyFGSWOHQRNTZAFG-UHFFFAOYSA-N
MW291.79 g/mol
LogP3.35
Rot. Bonds4

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

4-N-benzyl-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine (PubChem CID 778757) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 4-N-benzyl-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
PubChem CID778757
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name4-N-benzyl-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(Cl)nc(NCc2ccccc2)n1
InChIInChI=1S/C14H18ClN5/c1-14(2,3)20-13-18-11(15)17-12(19-13)16-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyFGSWOHQRNTZAFG-UHFFFAOYSA-N
XLogP3.35
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine (CID 778757) is 4-N-benzyl-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine is CC(C)(C)Nc1nc(Cl)nc(NCc2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine?
The InChIKey is FGSWOHQRNTZAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-14(2,3)20-13-18-11(15)17-12(19-13)16-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-benzyl-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine?
4-N-benzyl-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine has a molecular weight of 291.79 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 778757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).