6-chloro-2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine

C12H13Cl2N5O2 — CID 80749339

IUPAC6-chloro-2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2cc(OC)c(Cl)cc2OC)n1
InChIInChI=1S/C12H13Cl2N5O2/c1-15-11-17-10(14)18-12(19-11)16-7-5-8(20-2)6(13)4-9(7)21-3/h4-5H,1-3H3,(H2,15,16,17,18,19)
InChIKeyJFUMVSJBGYCLTA-UHFFFAOYSA-N
MW330.18 g/mol
LogP2.98
Rot. Bonds5

About 6-chloro-2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80749339) has the molecular formula C12H13Cl2N5O2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 6-chloro-2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80749339
Molecular FormulaC12H13Cl2N5O2
Molecular Weight330.18 g/mol
Exact Mass329.04
IUPAC Name6-chloro-2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2cc(OC)c(Cl)cc2OC)n1
InChIInChI=1S/C12H13Cl2N5O2/c1-15-11-17-10(14)18-12(19-11)16-7-5-8(20-2)6(13)4-9(7)21-3/h4-5H,1-3H3,(H2,15,16,17,18,19)
InChIKeyJFUMVSJBGYCLTA-UHFFFAOYSA-N
XLogP2.98
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3634041
6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 83081927
N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909403
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928205
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911493
5-chloro-2,4-dimethoxy-N-methylaniline
CID 28576065
6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 119092780
2,5-dichloro-4-methoxy-N-methylaniline
CID 82283226
4-N-tert-butyl-2-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112899784
3-N-(4-chloro-2,5-dimethoxyphenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938875
6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114256687
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80913116

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80749339) is 6-chloro-2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(Nc2cc(OC)c(Cl)cc2OC)n1.
What is the InChIKey of 6-chloro-2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JFUMVSJBGYCLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5O2/c1-15-11-17-10(14)18-12(19-11)16-7-5-8(20-2)6(13)4-9(7)21-3/h4-5H,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 330.18 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80749339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).