6-methoxy-4-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

C12H17N5O2 — CID 80800528

IUPAC6-methoxy-4-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC(C)c2ccc(C)o2)nc(OC)n1
InChIInChI=1S/C12H17N5O2/c1-7-5-6-9(19-7)8(2)14-11-15-10(13-3)16-12(17-11)18-4/h5-6,8H,1-4H3,(H2,13,14,15,16,17)
InChIKeyZYQHPNHMYZUQFN-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.00
Rot. Bonds5

About 6-methoxy-4-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

6-methoxy-4-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80800528) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-methoxy-4-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80800528
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name6-methoxy-4-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC(C)c2ccc(C)o2)nc(OC)n1
InChIInChI=1S/C12H17N5O2/c1-7-5-6-9(19-7)8(2)14-11-15-10(13-3)16-12(17-11)18-4/h5-6,8H,1-4H3,(H2,13,14,15,16,17)
InChIKeyZYQHPNHMYZUQFN-UHFFFAOYSA-N
XLogP2.00
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 80800528) is 6-methoxy-4-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is CNc1nc(NC(C)c2ccc(C)o2)nc(OC)n1.
What is the InChIKey of 6-methoxy-4-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ZYQHPNHMYZUQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-7-5-6-9(19-7)8(2)14-11-15-10(13-3)16-12(17-11)18-4/h5-6,8H,1-4H3,(H2,13,14,15,16,17).
What are the key properties of 6-methoxy-4-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-methoxy-4-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 263.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80800528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).