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

C21H30N10O2 — CID 130243702

IUPAC6-N-[2-[2-(dimethylamino)-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1N=C(N(C)C)NC(N(CCC2N=C(Nc3ccoc3)NC(N(C)C)=N2)c2ccoc2)=N1
InChIInChI=1S/C21H30N10O2/c1-14-22-19(29(2)3)28-21(23-14)31(16-8-11-33-13-16)9-6-17-25-18(24-15-7-10-32-12-15)27-20(26-17)30(4)5/h7-8,10-14,17H,6,9H2,1-5H3,(H,22,23,28)(H2,24,25,26,27)
InChIKeyCYFXBDWZIUIUAE-UHFFFAOYSA-N
MW454.54 g/mol
LogP1.61
Rot. Bonds5

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

6-N-[2-[2-(dimethylamino)-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 130243702) has the molecular formula C21H30N10O2 and a molecular weight of 454.54 g/mol. Its IUPAC name is 6-N-[2-[2-(dimethylamino)-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-[2-(dimethylamino)-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
PubChem CID130243702
Molecular FormulaC21H30N10O2
Molecular Weight454.54 g/mol
Exact Mass454.26
IUPAC Name6-N-[2-[2-(dimethylamino)-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1N=C(N(C)C)NC(N(CCC2N=C(Nc3ccoc3)NC(N(C)C)=N2)c2ccoc2)=N1
InChIInChI=1S/C21H30N10O2/c1-14-22-19(29(2)3)28-21(23-14)31(16-8-11-33-13-16)9-6-17-25-18(24-15-7-10-32-12-15)27-20(26-17)30(4)5/h7-8,10-14,17H,6,9H2,1-5H3,(H,22,23,28)(H2,24,25,26,27)
InChIKeyCYFXBDWZIUIUAE-UHFFFAOYSA-N
XLogP1.61
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.54
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[2-(dimethylamino)-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The IUPAC name of 6-N-[2-[2-(dimethylamino)-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 130243702) is 6-N-[2-[2-(dimethylamino)-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 6-N-[2-[2-(dimethylamino)-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 6-N-[2-[2-(dimethylamino)-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is CC1N=C(N(C)C)NC(N(CCC2N=C(Nc3ccoc3)NC(N(C)C)=N2)c2ccoc2)=N1.
What is the InChIKey of 6-N-[2-[2-(dimethylamino)-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The InChIKey is CYFXBDWZIUIUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N10O2/c1-14-22-19(29(2)3)28-21(23-14)31(16-8-11-33-13-16)9-6-17-25-18(24-15-7-10-32-12-15)27-20(26-17)30(4)5/h7-8,10-14,17H,6,9H2,1-5H3,(H,22,23,28)(H2,24,25,26,27).
What are the key properties of 6-N-[2-[2-(dimethylamino)-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
6-N-[2-[2-(dimethylamino)-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 454.54 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[2-(dimethylamino)-6-(furan-3-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-(furan-3-yl)-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 130243702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).