4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine

C14H12Cl2N6O — CID 87317448

IUPAC4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2nc(Cl)nc(Cl)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C14H12Cl2N6O/c1-8-6-22(7-17-8)10-4-3-9(5-11(10)23-2)18-14-20-12(15)19-13(16)21-14/h3-7H,1-2H3,(H,18,19,20,21)
InChIKeyWDINBNLPEVVOLT-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.42
Rot. Bonds4

About 4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine

4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 87317448) has the molecular formula C14H12Cl2N6O and a molecular weight of 351.20 g/mol. Its IUPAC name is 4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
PubChem CID87317448
Molecular FormulaC14H12Cl2N6O
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2nc(Cl)nc(Cl)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C14H12Cl2N6O/c1-8-6-22(7-17-8)10-4-3-9(5-11(10)23-2)18-14-20-12(15)19-13(16)21-14/h3-7H,1-2H3,(H,18,19,20,21)
InChIKeyWDINBNLPEVVOLT-UHFFFAOYSA-N
XLogP3.42
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
1-[(4-chlorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2,4-triazol-3-amine
CID 46214068
6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 178075717
methyl 4-[(4-chlorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-1,3,5-triazine-2-carboxylate
CID 59278681
CID 86633631
CID 86633631
4-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624674
6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-2-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 178075710
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(1-phenylethyl)-1,2,4-triazol-3-amine
CID 46214071
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine
CID 178075687
3-[[4-methoxy-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-1,3,5-triazin-2-yl]-methylamino]propane-1,2-diol
CID 59278673
4-(3-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624681
5-(4-fluorocyclohexa-1,3-dien-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methyl-1,2,4-triazol-3-amine
CID 90346636

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine (CID 87317448) is 4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine is COc1cc(Nc2nc(Cl)nc(Cl)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of 4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is WDINBNLPEVVOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N6O/c1-8-6-22(7-17-8)10-4-3-9(5-11(10)23-2)18-14-20-12(15)19-13(16)21-14/h3-7H,1-2H3,(H,18,19,20,21).
What are the key properties of 4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine?
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 351.20 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 87317448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).