6-N-[2-[2-amino-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine

C17H22N10O2 — CID 130243778

IUPAC6-N-[2-[2-amino-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1N=C(N)NC(N(CCC2N=C(N)NC(Nc3ccoc3)=N2)c2ccoc2)=N1
InChIInChI=1S/C17H22N10O2/c1-10-20-14(18)26-17(21-10)27(12-4-7-29-9-12)5-2-13-23-15(19)25-16(24-13)22-11-3-6-28-8-11/h3-4,6-10,13H,2,5H2,1H3,(H3,18,20,21,26)(H4,19,22,23,24,25)
InChIKeyARIVHJVUHSHVDC-UHFFFAOYSA-N
MW398.43 g/mol
LogP0.40
Rot. Bonds5

About 6-N-[2-[2-amino-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine

6-N-[2-[2-amino-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 130243778) has the molecular formula C17H22N10O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 6-N-[2-[2-amino-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-[2-amino-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
PubChem CID130243778
Molecular FormulaC17H22N10O2
Molecular Weight398.43 g/mol
Exact Mass398.19
IUPAC Name6-N-[2-[2-amino-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1N=C(N)NC(N(CCC2N=C(N)NC(Nc3ccoc3)=N2)c2ccoc2)=N1
InChIInChI=1S/C17H22N10O2/c1-10-20-14(18)26-17(21-10)27(12-4-7-29-9-12)5-2-13-23-15(19)25-16(24-13)22-11-3-6-28-8-11/h3-4,6-10,13H,2,5H2,1H3,(H3,18,20,21,26)(H4,19,22,23,24,25)
InChIKeyARIVHJVUHSHVDC-UHFFFAOYSA-N
XLogP0.40
TPSA167.09 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 50.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 6-N-[2-[2-amino-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[2-amino-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The IUPAC name of 6-N-[2-[2-amino-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 130243778) is 6-N-[2-[2-amino-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 6-N-[2-[2-amino-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 6-N-[2-[2-amino-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is CC1N=C(N)NC(N(CCC2N=C(N)NC(Nc3ccoc3)=N2)c2ccoc2)=N1.
What is the InChIKey of 6-N-[2-[2-amino-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The InChIKey is ARIVHJVUHSHVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N10O2/c1-10-20-14(18)26-17(21-10)27(12-4-7-29-9-12)5-2-13-23-15(19)25-16(24-13)22-11-3-6-28-8-11/h3-4,6-10,13H,2,5H2,1H3,(H3,18,20,21,26)(H4,19,22,23,24,25).
What are the key properties of 6-N-[2-[2-amino-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
6-N-[2-[2-amino-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 398.43 g/mol, XLogP of 0.40, 5 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[2-amino-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 130243778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).