4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine

C21H22Cl2N6O2 — CID 1256691

IUPAC4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(N2CCN(c3nc(Cl)nc(Nc4ccc(OC)c(Cl)c4)n3)CC2)cc1
InChIInChI=1S/C21H22Cl2N6O2/c1-30-16-6-4-15(5-7-16)28-9-11-29(12-10-28)21-26-19(23)25-20(27-21)24-14-3-8-18(31-2)17(22)13-14/h3-8,13H,9-12H2,1-2H3,(H,24,25,26,27)
InChIKeyCVQUJGWIWFMPPX-UHFFFAOYSA-N
MW461.35 g/mol
LogP4.27
Rot. Bonds6

About 4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine

4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 1256691) has the molecular formula C21H22Cl2N6O2 and a molecular weight of 461.35 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
PubChem CID1256691
Molecular FormulaC21H22Cl2N6O2
Molecular Weight461.35 g/mol
Exact Mass460.12
IUPAC Name4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(N2CCN(c3nc(Cl)nc(Nc4ccc(OC)c(Cl)c4)n3)CC2)cc1
InChIInChI=1S/C21H22Cl2N6O2/c1-30-16-6-4-15(5-7-16)28-9-11-29(12-10-28)21-26-19(23)25-20(27-21)24-14-3-8-18(31-2)17(22)13-14/h3-8,13H,9-12H2,1-2H3,(H,24,25,26,27)
InChIKeyCVQUJGWIWFMPPX-UHFFFAOYSA-N
XLogP4.27
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 2901969
4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869331
2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580158
4-N-(1,3-benzodioxol-5-yl)-6-chloro-2-N-(3-chloro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3713136
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 734476
2-N-(3-chloro-4-methylphenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580190
2-N-(4-chlorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477743
4-N-(3-chloro-4-methoxyphenyl)-6-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112866020
2-N-(3-chloro-4-methylphenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 666419
N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine
CID 171653777
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580298

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine (CID 1256691) is 4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine is COc1ccc(N2CCN(c3nc(Cl)nc(Nc4ccc(OC)c(Cl)c4)n3)CC2)cc1.
What is the InChIKey of 4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is CVQUJGWIWFMPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N6O2/c1-30-16-6-4-15(5-7-16)28-9-11-29(12-10-28)21-26-19(23)25-20(27-21)24-14-3-8-18(31-2)17(22)13-14/h3-8,13H,9-12H2,1-2H3,(H,24,25,26,27).
What are the key properties of 4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 461.35 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 1256691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).