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

C19H26N10O2 — CID 137228974

IUPACN-(furan-3-yl)-N-[2-[4-(furan-3-ylamino)-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC/N=C1/NC(N(CCC2N=C(Nc3ccoc3)N/C(=N/C)N2)c2ccoc2)=NC(C)N1
InChIInChI=1S/C19H26N10O2/c1-12-22-16(20-2)28-19(23-12)29(14-6-9-31-11-14)7-4-15-25-17(21-3)27-18(26-15)24-13-5-8-30-10-13/h5-6,8-12,15H,4,7H2,1-3H3,(H2,20,22,23,28)(H3,21,24,25,26,27)
InChIKeyNLFLRVZXGCDOKZ-UHFFFAOYSA-N
MW426.49 g/mol
LogP0.92
Rot. Bonds5

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

N-(furan-3-yl)-N-[2-[4-(furan-3-ylamino)-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 137228974) has the molecular formula C19H26N10O2 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-(furan-3-yl)-N-[2-[4-(furan-3-ylamino)-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound NameN-(furan-3-yl)-N-[2-[4-(furan-3-ylamino)-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID137228974
Molecular FormulaC19H26N10O2
Molecular Weight426.49 g/mol
Exact Mass426.22
IUPAC NameN-(furan-3-yl)-N-[2-[4-(furan-3-ylamino)-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC/N=C1/NC(N(CCC2N=C(Nc3ccoc3)N/C(=N/C)N2)c2ccoc2)=NC(C)N1
InChIInChI=1S/C19H26N10O2/c1-12-22-16(20-2)28-19(23-12)29(14-6-9-31-11-14)7-4-15-25-17(21-3)27-18(26-15)24-13-5-8-30-10-13/h5-6,8-12,15H,4,7H2,1-3H3,(H2,20,22,23,28)(H3,21,24,25,26,27)
InChIKeyNLFLRVZXGCDOKZ-UHFFFAOYSA-N
XLogP0.92
TPSA139.11 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 50.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(furan-3-yl)-N-[2-[4-(furan-3-ylamino)-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-yl)-N-[2-[4-(furan-3-ylamino)-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of N-(furan-3-yl)-N-[2-[4-(furan-3-ylamino)-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 137228974) is N-(furan-3-yl)-N-[2-[4-(furan-3-ylamino)-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for N-(furan-3-yl)-N-[2-[4-(furan-3-ylamino)-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for N-(furan-3-yl)-N-[2-[4-(furan-3-ylamino)-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine is C/N=C1/NC(N(CCC2N=C(Nc3ccoc3)N/C(=N/C)N2)c2ccoc2)=NC(C)N1.
What is the InChIKey of N-(furan-3-yl)-N-[2-[4-(furan-3-ylamino)-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is NLFLRVZXGCDOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N10O2/c1-12-22-16(20-2)28-19(23-12)29(14-6-9-31-11-14)7-4-15-25-17(21-3)27-18(26-15)24-13-5-8-30-10-13/h5-6,8-12,15H,4,7H2,1-3H3,(H2,20,22,23,28)(H3,21,24,25,26,27).
What are the key properties of N-(furan-3-yl)-N-[2-[4-(furan-3-ylamino)-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
N-(furan-3-yl)-N-[2-[4-(furan-3-ylamino)-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 426.49 g/mol, XLogP of 0.92, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-yl)-N-[2-[4-(furan-3-ylamino)-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 137228974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).