6-(furan-2-yl)-2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine

C18H16N6O3 — CID 10215650

IUPAC6-(furan-2-yl)-2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(-c2ccco2)n1
InChIInChI=1S/C18H16N6O3/c1-19-17-22-16(13-4-3-7-26-13)23-18(24-17)21-11-5-6-12(14(8-11)25-2)15-9-20-10-27-15/h3-10H,1-2H3,(H2,19,21,22,23,24)
InChIKeyJRPRIKWIPGONTN-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.58
Rot. Bonds6

About 6-(furan-2-yl)-2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine

6-(furan-2-yl)-2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 10215650) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(furan-2-yl)-2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID10215650
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name6-(furan-2-yl)-2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(-c2ccco2)n1
InChIInChI=1S/C18H16N6O3/c1-19-17-22-16(13-4-3-7-26-13)23-18(24-17)21-11-5-6-12(14(8-11)25-2)15-9-20-10-27-15/h3-10H,1-2H3,(H2,19,21,22,23,24)
InChIKeyJRPRIKWIPGONTN-UHFFFAOYSA-N
XLogP3.58
TPSA111.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(furan-2-yl)-2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(furan-2-yl)-2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 10215650) is 6-(furan-2-yl)-2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(furan-2-yl)-2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(furan-2-yl)-2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(-c2ccco2)n1.
What is the InChIKey of 6-(furan-2-yl)-2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JRPRIKWIPGONTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3/c1-19-17-22-16(13-4-3-7-26-13)23-18(24-17)21-11-5-6-12(14(8-11)25-2)15-9-20-10-27-15/h3-10H,1-2H3,(H2,19,21,22,23,24).
What are the key properties of 6-(furan-2-yl)-2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-(furan-2-yl)-2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 364.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10215650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).