6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

C10H10ClN5 — CID 616630

IUPAC6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C10H10ClN5/c1-6-4-2-3-5-7(6)13-10-15-8(11)14-9(12)16-10/h2-5H,1H3,(H3,12,13,14,15,16)
InChIKeyWQSZJTCCRNXOKM-UHFFFAOYSA-N
MW235.68 g/mol
LogP2.16
Rot. Bonds2

About 6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 616630) has the molecular formula C10H10ClN5 and a molecular weight of 235.68 g/mol. Its IUPAC name is 6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID616630
Molecular FormulaC10H10ClN5
Molecular Weight235.68 g/mol
Exact Mass235.06
IUPAC Name6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C10H10ClN5/c1-6-4-2-3-5-7(6)13-10-15-8(11)14-9(12)16-10/h2-5H,1H3,(H3,12,13,14,15,16)
InChIKeyWQSZJTCCRNXOKM-UHFFFAOYSA-N
XLogP2.16
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762277
6-chloro-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine
CID 80807407
4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine
CID 87457442
4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 748919
6-chloro-2-N-[2-(2-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80849210
2-amino-4-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 20645251
6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2608348
6-[(benzhydrylamino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 4825794
6-chloro-2-N-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80759681
6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762147
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]isoindole-1,3-dione
CID 7662914
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(4-methylphenyl)methyl]azanium
CID 2455288

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 616630) is 6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccccc1Nc1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WQSZJTCCRNXOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5/c1-6-4-2-3-5-7(6)13-10-15-8(11)14-9(12)16-10/h2-5H,1H3,(H3,12,13,14,15,16).
What are the key properties of 6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 235.68 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 616630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).