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

C17H15N7O — CID 174685689

IUPAC6-[4-(furan-2-yl)imidazol-1-yl]-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCN(c1ccccc1)c1nc(N)nc(-n2cnc(-c3ccco3)c2)n1
InChIInChI=1S/C17H15N7O/c1-23(12-6-3-2-4-7-12)16-20-15(18)21-17(22-16)24-10-13(19-11-24)14-8-5-9-25-14/h2-11H,1H3,(H2,18,20,21,22)
InChIKeyKNIGQCINDKXWPA-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.67
Rot. Bonds4

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

6-[4-(furan-2-yl)imidazol-1-yl]-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 174685689) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 6-[4-(furan-2-yl)imidazol-1-yl]-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(furan-2-yl)imidazol-1-yl]-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID174685689
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name6-[4-(furan-2-yl)imidazol-1-yl]-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCN(c1ccccc1)c1nc(N)nc(-n2cnc(-c3ccco3)c2)n1
InChIInChI=1S/C17H15N7O/c1-23(12-6-3-2-4-7-12)16-20-15(18)21-17(22-16)24-10-13(19-11-24)14-8-5-9-25-14/h2-11H,1H3,(H2,18,20,21,22)
InChIKeyKNIGQCINDKXWPA-UHFFFAOYSA-N
XLogP2.67
TPSA98.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(furan-2-yl)imidazol-1-yl]-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-(furan-2-yl)imidazol-1-yl]-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine (CID 174685689) is 6-[4-(furan-2-yl)imidazol-1-yl]-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-(furan-2-yl)imidazol-1-yl]-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-(furan-2-yl)imidazol-1-yl]-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine is CN(c1ccccc1)c1nc(N)nc(-n2cnc(-c3ccco3)c2)n1.
What is the InChIKey of 6-[4-(furan-2-yl)imidazol-1-yl]-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is KNIGQCINDKXWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-23(12-6-3-2-4-7-12)16-20-15(18)21-17(22-16)24-10-13(19-11-24)14-8-5-9-25-14/h2-11H,1H3,(H2,18,20,21,22).
What are the key properties of 6-[4-(furan-2-yl)imidazol-1-yl]-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
6-[4-(furan-2-yl)imidazol-1-yl]-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 333.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(furan-2-yl)imidazol-1-yl]-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 174685689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).