6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine

C10H9Cl2N5 — CID 91872292

IUPAC6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Cc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C10H9Cl2N5/c11-6-3-1-2-5(8(6)12)4-7-15-9(13)17-10(14)16-7/h1-3H,4H2,(H4,13,14,15,16,17)
InChIKeyWJAGIGHURQQWHK-UHFFFAOYSA-N
MW270.12 g/mol
LogP1.93
Rot. Bonds2

About 6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine

6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 91872292) has the molecular formula C10H9Cl2N5 and a molecular weight of 270.12 g/mol. Its IUPAC name is 6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID91872292
Molecular FormulaC10H9Cl2N5
Molecular Weight270.12 g/mol
Exact Mass269.02
IUPAC Name6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Cc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C10H9Cl2N5/c11-6-3-1-2-5(8(6)12)4-7-15-9(13)17-10(14)16-7/h1-3H,4H2,(H4,13,14,15,16,17)
InChIKeyWJAGIGHURQQWHK-UHFFFAOYSA-N
XLogP1.93
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine
CID 82807355
6-chloro-2-N-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 166163825
6-(2,3-dichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 12852436
(2,3-dichlorophenyl)methylazanium
CID 6951258
2,3-dichloro-1-[(2,3-dichlorophenyl)methyl]-4-methylbenzene
CID 14252253
2-(4-chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-4-ol
CID 91896638
4-[(2,3-dichlorophenyl)methyl]-3-methoxy-1H-pyrazol-5-amine
CID 71271030
1,2-dichloro-3-(iodomethyl)benzene
CID 107310418
4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39826609
4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine
CID 22398445
2-[(2-chlorophenyl)methyl]-6-cyclopropylpyrimidin-4-amine
CID 63353917
2-N-(2,3-dichlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80755049

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 91872292) is 6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(Cc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WJAGIGHURQQWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5/c11-6-3-1-2-5(8(6)12)4-7-15-9(13)17-10(14)16-7/h1-3H,4H2,(H4,13,14,15,16,17).
What are the key properties of 6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 270.12 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 91872292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).