4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine

C12H13ClN4O2 — CID 62858681

IUPAC4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1cccc(N(C)c2nc(Cl)nc(OC)n2)c1
InChIInChI=1S/C12H13ClN4O2/c1-17(8-5-4-6-9(7-8)18-2)11-14-10(13)15-12(16-11)19-3/h4-7H,1-3H3
InChIKeyDHEFNBMBUDOJTN-UHFFFAOYSA-N
MW280.72 g/mol
LogP2.31
Rot. Bonds4

About 4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 62858681) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine
PubChem CID62858681
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1cccc(N(C)c2nc(Cl)nc(OC)n2)c1
InChIInChI=1S/C12H13ClN4O2/c1-17(8-5-4-6-9(7-8)18-2)11-14-10(13)15-12(16-11)19-3/h4-7H,1-3H3
InChIKeyDHEFNBMBUDOJTN-UHFFFAOYSA-N
XLogP2.31
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine (CID 62858681) is 4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine is COc1cccc(N(C)c2nc(Cl)nc(OC)n2)c1.
What is the InChIKey of 4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is DHEFNBMBUDOJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-17(8-5-4-6-9(7-8)18-2)11-14-10(13)15-12(16-11)19-3/h4-7H,1-3H3.
What are the key properties of 4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 280.72 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62858681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).