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

C19H27N11O — CID 130243983

IUPAC4-methyl-6-N-[4-[[methyl-[4-methyl-6-[methyl(1H-pyrrol-2-yl)amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]methyl]furan-2-yl]-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1N=C(N)NC(Nc2cc(CN(C)C3=NC(C)N=C(N(C)c4ccc[nH]4)N3)co2)=N1
InChIInChI=1S/C19H27N11O/c1-11-22-16(20)27-17(23-11)26-15-8-13(10-31-15)9-29(3)18-24-12(2)25-19(28-18)30(4)14-6-5-7-21-14/h5-8,10-12,21H,9H2,1-4H3,(H,24,25,28)(H4,20,22,23,26,27)
InChIKeyFLWQWDRDPNCZHW-UHFFFAOYSA-N
MW425.50 g/mol
LogP0.87
Rot. Bonds4

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

4-methyl-6-N-[4-[[methyl-[4-methyl-6-[methyl(1H-pyrrol-2-yl)amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]methyl]furan-2-yl]-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 130243983) has the molecular formula C19H27N11O and a molecular weight of 425.50 g/mol. Its IUPAC name is 4-methyl-6-N-[4-[[methyl-[4-methyl-6-[methyl(1H-pyrrol-2-yl)amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]methyl]furan-2-yl]-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name4-methyl-6-N-[4-[[methyl-[4-methyl-6-[methyl(1H-pyrrol-2-yl)amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]methyl]furan-2-yl]-1,4-dihydro-1,3,5-triazine-2,6-diamine
PubChem CID130243983
Molecular FormulaC19H27N11O
Molecular Weight425.50 g/mol
Exact Mass425.24
IUPAC Name4-methyl-6-N-[4-[[methyl-[4-methyl-6-[methyl(1H-pyrrol-2-yl)amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]methyl]furan-2-yl]-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1N=C(N)NC(Nc2cc(CN(C)C3=NC(C)N=C(N(C)c4ccc[nH]4)N3)co2)=N1
InChIInChI=1S/C19H27N11O/c1-11-22-16(20)27-17(23-11)26-15-8-13(10-31-15)9-29(3)18-24-12(2)25-19(28-18)30(4)14-6-5-7-21-14/h5-8,10-12,21H,9H2,1-4H3,(H,24,25,28)(H4,20,22,23,26,27)
InChIKeyFLWQWDRDPNCZHW-UHFFFAOYSA-N
XLogP0.87
TPSA146.96 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.50
LogP ≤ 50.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 4-methyl-6-N-[4-[[methyl-[4-methyl-6-[methyl(1H-pyrrol-2-yl)amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]methyl]furan-2-yl]-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 4-methyl-6-N-[4-[[methyl-[4-methyl-6-[methyl(1H-pyrrol-2-yl)amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]methyl]furan-2-yl]-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The IUPAC name of 4-methyl-6-N-[4-[[methyl-[4-methyl-6-[methyl(1H-pyrrol-2-yl)amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]methyl]furan-2-yl]-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 130243983) is 4-methyl-6-N-[4-[[methyl-[4-methyl-6-[methyl(1H-pyrrol-2-yl)amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]methyl]furan-2-yl]-1,4-dihydro-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 4-methyl-6-N-[4-[[methyl-[4-methyl-6-[methyl(1H-pyrrol-2-yl)amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]methyl]furan-2-yl]-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 4-methyl-6-N-[4-[[methyl-[4-methyl-6-[methyl(1H-pyrrol-2-yl)amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]methyl]furan-2-yl]-1,4-dihydro-1,3,5-triazine-2,6-diamine is CC1N=C(N)NC(Nc2cc(CN(C)C3=NC(C)N=C(N(C)c4ccc[nH]4)N3)co2)=N1.
What is the InChIKey of 4-methyl-6-N-[4-[[methyl-[4-methyl-6-[methyl(1H-pyrrol-2-yl)amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]methyl]furan-2-yl]-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The InChIKey is FLWQWDRDPNCZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N11O/c1-11-22-16(20)27-17(23-11)26-15-8-13(10-31-15)9-29(3)18-24-12(2)25-19(28-18)30(4)14-6-5-7-21-14/h5-8,10-12,21H,9H2,1-4H3,(H,24,25,28)(H4,20,22,23,26,27).
What are the key properties of 4-methyl-6-N-[4-[[methyl-[4-methyl-6-[methyl(1H-pyrrol-2-yl)amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]methyl]furan-2-yl]-1,4-dihydro-1,3,5-triazine-2,6-diamine?
4-methyl-6-N-[4-[[methyl-[4-methyl-6-[methyl(1H-pyrrol-2-yl)amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]methyl]furan-2-yl]-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 425.50 g/mol, XLogP of 0.87, 4 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-N-[4-[[methyl-[4-methyl-6-[methyl(1H-pyrrol-2-yl)amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]methyl]furan-2-yl]-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 130243983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).