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

C11H12ClN5O2 — CID 80763444

IUPAC2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C11H12ClN5O2/c1-18-8-4-3-6(12)5-7(8)14-10-15-9(13)16-11(17-10)19-2/h3-5H,1-2H3,(H3,13,14,15,16,17)
InChIKeyUOEICPYKGAQTDN-UHFFFAOYSA-N
MW281.70 g/mol
LogP1.87
Rot. Bonds4

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

2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80763444) has the molecular formula C11H12ClN5O2 and a molecular weight of 281.70 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID80763444
Molecular FormulaC11H12ClN5O2
Molecular Weight281.70 g/mol
Exact Mass281.07
IUPAC Name2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C11H12ClN5O2/c1-18-8-4-3-6(12)5-7(8)14-10-15-9(13)16-11(17-10)19-2/h3-5H,1-2H3,(H3,13,14,15,16,17)
InChIKeyUOEICPYKGAQTDN-UHFFFAOYSA-N
XLogP1.87
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80926064
2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80780587
2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 81272535
2-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 71786100
2-N-(5-chloro-2-methoxyphenyl)-6-[(4-methoxyphenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 17336894
6-methoxy-2-N-(2,4,5-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80825019
4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 56921023
2-N-(2,3-dichlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80755049
2-N-(2,4-dimethylphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763510
2-N-(5-chloro-2-methoxyphenyl)pyrazine-2,6-diamine
CID 80648357
N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905494
2-N-(5-bromo-2,4-difluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 102855487

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine (CID 80763444) is 2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(Nc2cc(Cl)ccc2OC)n1.
What is the InChIKey of 2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is UOEICPYKGAQTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2/c1-18-8-4-3-6(12)5-7(8)14-10-15-9(13)16-11(17-10)19-2/h3-5H,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 281.70 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80763444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).