6-(furan-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C9H11N5O — CID 745956

IUPAC6-(furan-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(-c2ccco2)n1
InChIInChI=1S/C9H11N5O/c1-14(2)9-12-7(11-8(10)13-9)6-4-3-5-15-6/h3-5H,1-2H3,(H2,10,11,12,13)
InChIKeyDPDMRHNBHHTACC-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.78
Rot. Bonds2

About 6-(furan-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(furan-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 745956) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(furan-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID745956
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name6-(furan-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(-c2ccco2)n1
InChIInChI=1S/C9H11N5O/c1-14(2)9-12-7(11-8(10)13-9)6-4-3-5-15-6/h3-5H,1-2H3,(H2,10,11,12,13)
InChIKeyDPDMRHNBHHTACC-UHFFFAOYSA-N
XLogP0.78
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(furan-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 745956) is 6-(furan-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(furan-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(furan-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(-c2ccco2)n1.
What is the InChIKey of 6-(furan-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DPDMRHNBHHTACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-14(2)9-12-7(11-8(10)13-9)6-4-3-5-15-6/h3-5H,1-2H3,(H2,10,11,12,13).
What are the key properties of 6-(furan-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(furan-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 205.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 745956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).