2-N,2-N,4-N,4-N-tetrabutyl-6-chloro-1,3,5-triazine-2,4-diamine

C19H36ClN5 — CID 3750346

IUPAC2-N,2-N,4-N,4-N-tetrabutyl-6-chloro-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(Cl)nc(N(CCCC)CCCC)n1
InChIInChI=1S/C19H36ClN5/c1-5-9-13-24(14-10-6-2)18-21-17(20)22-19(23-18)25(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
InChIKeyVVISQEKWYPFFLK-UHFFFAOYSA-N
MW369.99 g/mol
LogP5.34
Rot. Bonds14

About 2-N,2-N,4-N,4-N-tetrabutyl-6-chloro-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N,4-N-tetrabutyl-6-chloro-1,3,5-triazine-2,4-diamine (PubChem CID 3750346) has the molecular formula C19H36ClN5 and a molecular weight of 369.99 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetrabutyl-6-chloro-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetrabutyl-6-chloro-1,3,5-triazine-2,4-diamine
PubChem CID3750346
Molecular FormulaC19H36ClN5
Molecular Weight369.99 g/mol
Exact Mass369.27
IUPAC Name2-N,2-N,4-N,4-N-tetrabutyl-6-chloro-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(Cl)nc(N(CCCC)CCCC)n1
InChIInChI=1S/C19H36ClN5/c1-5-9-13-24(14-10-6-2)18-21-17(20)22-19(23-18)25(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
InChIKeyVVISQEKWYPFFLK-UHFFFAOYSA-N
XLogP5.34
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.99
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N-tetrabutyl-6-chloro-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetrabutyl-6-chloro-1,3,5-triazine-2,4-diamine (CID 3750346) is 2-N,2-N,4-N,4-N-tetrabutyl-6-chloro-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetrabutyl-6-chloro-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetrabutyl-6-chloro-1,3,5-triazine-2,4-diamine is CCCCN(CCCC)c1nc(Cl)nc(N(CCCC)CCCC)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetrabutyl-6-chloro-1,3,5-triazine-2,4-diamine?
The InChIKey is VVISQEKWYPFFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36ClN5/c1-5-9-13-24(14-10-6-2)18-21-17(20)22-19(23-18)25(15-11-7-3)16-12-8-4/h5-16H2,1-4H3.
What are the key properties of 2-N,2-N,4-N,4-N-tetrabutyl-6-chloro-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N,4-N-tetrabutyl-6-chloro-1,3,5-triazine-2,4-diamine has a molecular weight of 369.99 g/mol, XLogP of 5.34, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N-tetrabutyl-6-chloro-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3750346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).