2,2-dichloro-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene-4,6-diamine

C6H12Cl2N5P — CID 12697849

IUPAC2,2-dichloro-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene-4,6-diamine
SMILESCN(C)C1=NC(N(C)C)=NP(Cl)(Cl)=N1
InChIInChI=1S/C6H12Cl2N5P/c1-12(2)5-9-6(13(3)4)11-14(7,8)10-5/h1-4H3
InChIKeyIDKDNDFXMWODOE-UHFFFAOYSA-N
MW256.08 g/mol
LogP2.26
Rot. Bonds

About 2,2-dichloro-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene-4,6-diamine

2,2-dichloro-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene-4,6-diamine (PubChem CID 12697849) has the molecular formula C6H12Cl2N5P and a molecular weight of 256.08 g/mol. Its IUPAC name is 2,2-dichloro-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene-4,6-diamine.

Molecular Properties

Compound Name2,2-dichloro-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene-4,6-diamine
PubChem CID12697849
Molecular FormulaC6H12Cl2N5P
Molecular Weight256.08 g/mol
Exact Mass255.02
IUPAC Name2,2-dichloro-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene-4,6-diamine
SMILESCN(C)C1=NC(N(C)C)=NP(Cl)(Cl)=N1
InChIInChI=1S/C6H12Cl2N5P/c1-12(2)5-9-6(13(3)4)11-14(7,8)10-5/h1-4H3
InChIKeyIDKDNDFXMWODOE-UHFFFAOYSA-N
XLogP2.26
TPSA43.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.08
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene-4,6-diamine?
The IUPAC name of 2,2-dichloro-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene-4,6-diamine (CID 12697849) is 2,2-dichloro-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene-4,6-diamine.
What is the SMILES notation for 2,2-dichloro-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene-4,6-diamine?
The canonical SMILES for 2,2-dichloro-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene-4,6-diamine is CN(C)C1=NC(N(C)C)=NP(Cl)(Cl)=N1.
What is the InChIKey of 2,2-dichloro-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene-4,6-diamine?
The InChIKey is IDKDNDFXMWODOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2N5P/c1-12(2)5-9-6(13(3)4)11-14(7,8)10-5/h1-4H3.
What are the key properties of 2,2-dichloro-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene-4,6-diamine?
2,2-dichloro-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene-4,6-diamine has a molecular weight of 256.08 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene-4,6-diamine is sourced from PubChem (CID 12697849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).