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

C10H10ClN5O — CID 2725753

IUPAC6-(2-chloro-6-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(Cl)c1-c1nc(N)nc(N)n1
InChIInChI=1S/C10H10ClN5O/c1-17-6-4-2-3-5(11)7(6)8-14-9(12)16-10(13)15-8/h2-4H,1H3,(H4,12,13,14,15,16)
InChIKeySGPZWWGYHVUWTL-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.37
Rot. Bonds2

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

6-(2-chloro-6-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 2725753) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 6-(2-chloro-6-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-chloro-6-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID2725753
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name6-(2-chloro-6-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(Cl)c1-c1nc(N)nc(N)n1
InChIInChI=1S/C10H10ClN5O/c1-17-6-4-2-3-5(11)7(6)8-14-9(12)16-10(13)15-8/h2-4H,1H3,(H4,12,13,14,15,16)
InChIKeySGPZWWGYHVUWTL-UHFFFAOYSA-N
XLogP1.37
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-chloro-6-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 2725753) is 6-(2-chloro-6-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-chloro-6-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-chloro-6-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1cccc(Cl)c1-c1nc(N)nc(N)n1.
What is the InChIKey of 6-(2-chloro-6-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SGPZWWGYHVUWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-17-6-4-2-3-5(11)7(6)8-14-9(12)16-10(13)15-8/h2-4H,1H3,(H4,12,13,14,15,16).
What are the key properties of 6-(2-chloro-6-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-(2-chloro-6-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 251.68 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2725753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).