N-(furan-2-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine

C9H13N5O — CID 136590947

IUPACN-(furan-2-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC/N=C1/NC(Nc2ccco2)=NC(C)N1
InChIInChI=1S/C9H13N5O/c1-6-11-8(10-2)14-9(12-6)13-7-4-3-5-15-7/h3-6H,1-2H3,(H3,10,11,12,13,14)
InChIKeySNYWCBWFHFRDGA-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.57
Rot. Bonds1

About N-(furan-2-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine

N-(furan-2-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 136590947) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-(furan-2-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound NameN-(furan-2-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID136590947
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-(furan-2-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC/N=C1/NC(Nc2ccco2)=NC(C)N1
InChIInChI=1S/C9H13N5O/c1-6-11-8(10-2)14-9(12-6)13-7-4-3-5-15-7/h3-6H,1-2H3,(H3,10,11,12,13,14)
InChIKeySNYWCBWFHFRDGA-UHFFFAOYSA-N
XLogP0.57
TPSA73.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of N-(furan-2-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 136590947) is N-(furan-2-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for N-(furan-2-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for N-(furan-2-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine is C/N=C1/NC(Nc2ccco2)=NC(C)N1.
What is the InChIKey of N-(furan-2-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is SNYWCBWFHFRDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-6-11-8(10-2)14-9(12-6)13-7-4-3-5-15-7/h3-6H,1-2H3,(H3,10,11,12,13,14).
What are the key properties of N-(furan-2-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
N-(furan-2-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 207.24 g/mol, XLogP of 0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 136590947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).