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

C12H14ClN5O — CID 826995

IUPAC6-(5-chloro-2-methoxyphenyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(-c2cc(Cl)ccc2OC)n1
InChIInChI=1S/C12H14ClN5O/c1-3-15-12-17-10(16-11(14)18-12)8-6-7(13)4-5-9(8)19-2/h4-6H,3H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyDTPKYAHCQNHZKD-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.21
Rot. Bonds4

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

6-(5-chloro-2-methoxyphenyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 826995) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID826995
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name6-(5-chloro-2-methoxyphenyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(-c2cc(Cl)ccc2OC)n1
InChIInChI=1S/C12H14ClN5O/c1-3-15-12-17-10(16-11(14)18-12)8-6-7(13)4-5-9(8)19-2/h4-6H,3H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyDTPKYAHCQNHZKD-UHFFFAOYSA-N
XLogP2.21
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.21
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
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
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
6-(5-chloro-2-methoxyphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 1827385
4-(5-Chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645158
6-[4-(4-Chloro-2-methyl-phenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 127036399

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine (CID 826995) is 6-(5-chloro-2-methoxyphenyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(N)nc(-c2cc(Cl)ccc2OC)n1.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DTPKYAHCQNHZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-3-15-12-17-10(16-11(14)18-12)8-6-7(13)4-5-9(8)19-2/h4-6H,3H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 6-(5-chloro-2-methoxyphenyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine?
6-(5-chloro-2-methoxyphenyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 279.73 g/mol, XLogP of 2.21, 4 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)-2-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 826995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).