4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

C18H17ClN4O3 — CID 23536108

IUPAC4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2nc(Cl)nc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C18H17ClN4O3/c1-24-13-9-12(10-14(25-2)15(13)26-3)20-18-22-16(21-17(19)23-18)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,20,21,22,23)
InChIKeyFSDTXAUWGXESJU-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.96
Rot. Bonds6

About 4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 23536108) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID23536108
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2nc(Cl)nc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C18H17ClN4O3/c1-24-13-9-12(10-14(25-2)15(13)26-3)20-18-22-16(21-17(19)23-18)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,20,21,22,23)
InChIKeyFSDTXAUWGXESJU-UHFFFAOYSA-N
XLogP3.96
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536125
4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine
CID 22459751
4-(3-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535998
4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22028121
2-phenyl-6-N-prop-2-enyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112879695
1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 171934003
3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20952768
6-phenyl-2-N,4-N-bis(3,4,5-trioctoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 91807023
5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 91892579
2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536645
4-N-(2-methoxyphenyl)-6-methyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112930468
6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3634041

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (CID 23536108) is 4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is COc1cc(Nc2nc(Cl)nc(-c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is FSDTXAUWGXESJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-24-13-9-12(10-14(25-2)15(13)26-3)20-18-22-16(21-17(19)23-18)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,20,21,22,23).
What are the key properties of 4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 372.81 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 23536108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).