2-N-(4-chlorophenyl)-2-N-propyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

C21H24ClN5O3 — CID 23536613

IUPAC2-N-(4-chlorophenyl)-2-N-propyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCCN(c1ccc(Cl)cc1)c1ncnc(Nc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C21H24ClN5O3/c1-5-10-27(16-8-6-14(22)7-9-16)21-24-13-23-20(26-21)25-15-11-17(28-2)19(30-4)18(12-15)29-3/h6-9,11-13H,5,10H2,1-4H3,(H,23,24,25,26)
InChIKeySHDULYNSIDARMX-UHFFFAOYSA-N
MW429.91 g/mol
LogP4.84
Rot. Bonds9

About 2-N-(4-chlorophenyl)-2-N-propyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

2-N-(4-chlorophenyl)-2-N-propyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 23536613) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-2-N-propyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-2-N-propyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID23536613
Molecular FormulaC21H24ClN5O3
Molecular Weight429.91 g/mol
Exact Mass429.16
IUPAC Name2-N-(4-chlorophenyl)-2-N-propyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCCN(c1ccc(Cl)cc1)c1ncnc(Nc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C21H24ClN5O3/c1-5-10-27(16-8-6-14(22)7-9-16)21-24-13-23-20(26-21)25-15-11-17(28-2)19(30-4)18(12-15)29-3/h6-9,11-13H,5,10H2,1-4H3,(H,23,24,25,26)
InChIKeySHDULYNSIDARMX-UHFFFAOYSA-N
XLogP4.84
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-N-(4-chlorophenyl)-2-N-propyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(4-methoxyphenyl)-2-N-methyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536634
2-N-(1-benzylindazol-5-yl)-2-N-(4-chlorophenyl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536266
2-N-(4-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)-2-N-(3-phenylprop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 74060481
4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22028121
4-(3-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535998
4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112902949
4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536125
2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535781
4-(2-chloroimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22560087
N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide
CID 71812787
4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535916
2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535780

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-2-N-propyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-2-N-propyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 23536613) is 2-N-(4-chlorophenyl)-2-N-propyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-2-N-propyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-2-N-propyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is CCCN(c1ccc(Cl)cc1)c1ncnc(Nc2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of 2-N-(4-chlorophenyl)-2-N-propyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SHDULYNSIDARMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3/c1-5-10-27(16-8-6-14(22)7-9-16)21-24-13-23-20(26-21)25-15-11-17(28-2)19(30-4)18(12-15)29-3/h6-9,11-13H,5,10H2,1-4H3,(H,23,24,25,26).
What are the key properties of 2-N-(4-chlorophenyl)-2-N-propyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
2-N-(4-chlorophenyl)-2-N-propyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 429.91 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-2-N-propyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23536613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).