6-(chloromethyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine

C16H14ClN5 — CID 934986

IUPAC6-(chloromethyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CCl)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C16H14ClN5/c17-11-14-19-15(18)21-16(20-14)22(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H2,18,19,20,21)
InChIKeyMYVHEXLYWFMBCL-UHFFFAOYSA-N
MW311.78 g/mol
LogP3.66
Rot. Bonds4

About 6-(chloromethyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine

6-(chloromethyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine (PubChem CID 934986) has the molecular formula C16H14ClN5 and a molecular weight of 311.78 g/mol. Its IUPAC name is 6-(chloromethyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(chloromethyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine
PubChem CID934986
Molecular FormulaC16H14ClN5
Molecular Weight311.78 g/mol
Exact Mass311.09
IUPAC Name6-(chloromethyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CCl)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C16H14ClN5/c17-11-14-19-15(18)21-16(20-14)22(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H2,18,19,20,21)
InChIKeyMYVHEXLYWFMBCL-UHFFFAOYSA-N
XLogP3.66
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(chloromethyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine (CID 934986) is 6-(chloromethyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(chloromethyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(chloromethyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine is Nc1nc(CCl)nc(N(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 6-(chloromethyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MYVHEXLYWFMBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5/c17-11-14-19-15(18)21-16(20-14)22(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H2,18,19,20,21).
What are the key properties of 6-(chloromethyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine?
6-(chloromethyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 311.78 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 934986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).