4-[2-[3-(difluoromethoxy)anilino]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine

C32H30F2N6O3 — CID 66600285

IUPAC4-[2-[3-(difluoromethoxy)anilino]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cccnc3Nc3cccc(OC(F)F)c3)n2)cc1
InChIInChI=1S/C32H30F2N6O3/c1-21-36-30(28-8-5-17-35-29(28)38-24-6-4-7-27(18-24)43-31(33)34)39-32(37-21)40(19-22-9-13-25(41-2)14-10-22)20-23-11-15-26(42-3)16-12-23/h4-18,31H,19-20H2,1-3H3,(H,35,38)
InChIKeyCLBGVNGUZSYYTI-UHFFFAOYSA-N
MW584.63 g/mol
LogP6.81
Rot. Bonds12

About 4-[2-[3-(difluoromethoxy)anilino]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine

4-[2-[3-(difluoromethoxy)anilino]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 66600285) has the molecular formula C32H30F2N6O3 and a molecular weight of 584.63 g/mol. Its IUPAC name is 4-[2-[3-(difluoromethoxy)anilino]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[3-(difluoromethoxy)anilino]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID66600285
Molecular FormulaC32H30F2N6O3
Molecular Weight584.63 g/mol
Exact Mass584.23
IUPAC Name4-[2-[3-(difluoromethoxy)anilino]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cccnc3Nc3cccc(OC(F)F)c3)n2)cc1
InChIInChI=1S/C32H30F2N6O3/c1-21-36-30(28-8-5-17-35-29(28)38-24-6-4-7-27(18-24)43-31(33)34)39-32(37-21)40(19-22-9-13-25(41-2)14-10-22)20-23-11-15-26(42-3)16-12-23/h4-18,31H,19-20H2,1-3H3,(H,35,38)
InChIKeyCLBGVNGUZSYYTI-UHFFFAOYSA-N
XLogP6.81
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.63
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(difluoromethoxy)anilino]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[3-(difluoromethoxy)anilino]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine (CID 66600285) is 4-[2-[3-(difluoromethoxy)anilino]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[3-(difluoromethoxy)anilino]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[3-(difluoromethoxy)anilino]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cccnc3Nc3cccc(OC(F)F)c3)n2)cc1.
What is the InChIKey of 4-[2-[3-(difluoromethoxy)anilino]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is CLBGVNGUZSYYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F2N6O3/c1-21-36-30(28-8-5-17-35-29(28)38-24-6-4-7-27(18-24)43-31(33)34)39-32(37-21)40(19-22-9-13-25(41-2)14-10-22)20-23-11-15-26(42-3)16-12-23/h4-18,31H,19-20H2,1-3H3,(H,35,38).
What are the key properties of 4-[2-[3-(difluoromethoxy)anilino]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-[3-(difluoromethoxy)anilino]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 584.63 g/mol, XLogP of 6.81, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(difluoromethoxy)anilino]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66600285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).