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

C10H10ClN5O — CID 827431

IUPAC6-(5-chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Cl)cc1-c1nc(N)nc(N)n1
InChIInChI=1S/C10H10ClN5O/c1-17-7-3-2-5(11)4-6(7)8-14-9(12)16-10(13)15-8/h2-4H,1H3,(H4,12,13,14,15,16)
InChIKeyBBBNXHLRVXVJSM-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.37
Rot. Bonds2

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

6-(5-chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 827431) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID827431
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name6-(5-chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Cl)cc1-c1nc(N)nc(N)n1
InChIInChI=1S/C10H10ClN5O/c1-17-7-3-2-5(11)4-6(7)8-14-9(12)16-10(13)15-8/h2-4H,1H3,(H4,12,13,14,15,16)
InChIKeyBBBNXHLRVXVJSM-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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Related Compounds

6-(2-Methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 667613
1,3,5-Triazine-2,4-diamine, 6-(4-methoxyphenyl)-
CID 34921
6-(5-Chloro-2-methoxy-phenyl)-N-(4-chloro-phenyl)-[1,3,5]triazine-2,4-diamine
CID 10269990
2-[4-Amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 826985
6-(5-chloro-2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 826988
N-[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]-N,N-dipropylamine
CID 826994
2-[4-Amino-6-(butylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 1827381
6-[4-[(4-Chlorophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
CID 21705470
2'-Ethoxylbenzoguanamine
CID 14601976
6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine
CID 2725924
N-[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]-N-cyclohexylamine
CID 826987
N-[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]-N-ethylamine
CID 826995

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 827431) is 6-(5-chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccc(Cl)cc1-c1nc(N)nc(N)n1.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BBBNXHLRVXVJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-17-7-3-2-5(11)4-6(7)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-(5-chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-(5-chloro-2-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-(5-chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 827431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).