4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

C12H13ClN4O3 — CID 22028121

IUPAC4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(Cl)n2)cc(OC)c1OC
InChIInChI=1S/C12H13ClN4O3/c1-18-8-4-7(5-9(19-2)10(8)20-3)16-12-15-6-14-11(13)17-12/h4-6H,1-3H3,(H,14,15,16,17)
InChIKeyKGXURMWJVSAGGO-UHFFFAOYSA-N
MW296.71 g/mol
LogP2.29
Rot. Bonds5

About 4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 22028121) has the molecular formula C12H13ClN4O3 and a molecular weight of 296.71 g/mol. Its IUPAC name is 4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID22028121
Molecular FormulaC12H13ClN4O3
Molecular Weight296.71 g/mol
Exact Mass296.07
IUPAC Name4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(Cl)n2)cc(OC)c1OC
InChIInChI=1S/C12H13ClN4O3/c1-18-8-4-7(5-9(19-2)10(8)20-3)16-12-15-6-14-11(13)17-12/h4-6H,1-3H3,(H,14,15,16,17)
InChIKeyKGXURMWJVSAGGO-UHFFFAOYSA-N
XLogP2.29
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-chloroimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22560087
4-(3-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535998
4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536125
2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535780
2-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536686
2-N-(4-methoxyphenyl)-2-N-methyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536634
4-(3-chloroindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535996
4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536108
4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535916
2-N-(4-chlorophenyl)-2-N-propyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536613
4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536693
2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536645

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (CID 22028121) is 4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is COc1cc(Nc2ncnc(Cl)n2)cc(OC)c1OC.
What is the InChIKey of 4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is KGXURMWJVSAGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3/c1-18-8-4-7(5-9(19-2)10(8)20-3)16-12-15-6-14-11(13)17-12/h4-6H,1-3H3,(H,14,15,16,17).
What are the key properties of 4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 296.71 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 22028121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).