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

C11H20ClN5 — CID 754816

IUPAC4-N-tert-butyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NC(C)(C)C)n1
InChIInChI=1S/C11H20ClN5/c1-6-17(7-2)10-14-8(12)13-9(15-10)16-11(3,4)5/h6-7H2,1-5H3,(H,13,14,15,16)
InChIKeyMCYMNSRSNBTXSR-UHFFFAOYSA-N
MW257.77 g/mol
LogP2.58
Rot. Bonds4

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

4-N-tert-butyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 754816) has the molecular formula C11H20ClN5 and a molecular weight of 257.77 g/mol. Its IUPAC name is 4-N-tert-butyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID754816
Molecular FormulaC11H20ClN5
Molecular Weight257.77 g/mol
Exact Mass257.14
IUPAC Name4-N-tert-butyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NC(C)(C)C)n1
InChIInChI=1S/C11H20ClN5/c1-6-17(7-2)10-14-8(12)13-9(15-10)16-11(3,4)5/h6-7H2,1-5H3,(H,13,14,15,16)
InChIKeyMCYMNSRSNBTXSR-UHFFFAOYSA-N
XLogP2.58
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (CID 754816) is 4-N-tert-butyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(NC(C)(C)C)n1.
What is the InChIKey of 4-N-tert-butyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MCYMNSRSNBTXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5/c1-6-17(7-2)10-14-8(12)13-9(15-10)16-11(3,4)5/h6-7H2,1-5H3,(H,13,14,15,16).
What are the key properties of 4-N-tert-butyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
4-N-tert-butyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 257.77 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 754816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).