2-N,2-N,6-N,4-tetramethyl-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

C22H33N11O — CID 123651248

IUPAC2-N,2-N,6-N,4-tetramethyl-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(C)Cc2coc(N(C)C3=NC(C)N=C(N(C)C)N3)c2)NC(N(C)c2ccc[nH]2)=N1
InChIInChI=1S/C22H33N11O/c1-14-24-19(30(3)4)28-22(27-14)33(7)18-11-16(13-34-18)12-31(5)20-25-15(2)26-21(29-20)32(6)17-9-8-10-23-17/h8-11,13-15,23H,12H2,1-7H3,(H,24,27,28)(H,25,26,29)
InChIKeyRLROGRBDNRNBEV-UHFFFAOYSA-N
MW467.58 g/mol
LogP1.50
Rot. Bonds4

About 2-N,2-N,6-N,4-tetramethyl-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

2-N,2-N,6-N,4-tetramethyl-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 123651248) has the molecular formula C22H33N11O and a molecular weight of 467.58 g/mol. Its IUPAC name is 2-N,2-N,6-N,4-tetramethyl-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 Name2-N,2-N,6-N,4-tetramethyl-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 CID123651248
Molecular FormulaC22H33N11O
Molecular Weight467.58 g/mol
Exact Mass467.29
IUPAC Name2-N,2-N,6-N,4-tetramethyl-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(C)Cc2coc(N(C)C3=NC(C)N=C(N(C)C)N3)c2)NC(N(C)c2ccc[nH]2)=N1
InChIInChI=1S/C22H33N11O/c1-14-24-19(30(3)4)28-22(27-14)33(7)18-11-16(13-34-18)12-31(5)20-25-15(2)26-21(29-20)32(6)17-9-8-10-23-17/h8-11,13-15,23H,12H2,1-7H3,(H,24,27,28)(H,25,26,29)
InChIKeyRLROGRBDNRNBEV-UHFFFAOYSA-N
XLogP1.50
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.58
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-N,2-N,6-N,4-tetramethyl-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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Related Compounds

6-N-[[5-[[6-(dimethylamino)-2-methyl-5-propyl-2,5-dihydropyrimidin-4-yl]-methylamino]furan-3-yl]methyl]-4-N,6-N,2,5-tetramethyl-4-N-(1H-pyrrol-2-yl)-2H-1,3,5-triazine-4,6-diamine
CID 123780495
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
2-N-[4-[[[4-(dimethylamino)-6-(1H-pyrrol-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]furan-2-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 130261902
6-Oxa-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraene
CID 141847607
N,2-dimethyl-6-methylimino-N-(1H-pyrrol-2-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,4-dimethyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;6-N-(furan-2-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;6-N-(furan-2-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-2-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-methyl-6-methylimino-N-(1H-pyrrol-2-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-methyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N,6-N,6-N,2,5-pentamethyl-4-N-(1H-pyrrol-2-yl)-2H-1,3,5-triazine-4,6-diamine;2-N,2-N,6-N,4-tetramethyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;6-N,6-N,4-trimethyl-2-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 157750929
1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
CID 157761687
1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine
CID 158000442
1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;1-carbamimidoyl-1-methyl-2-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;1-(diaminomethylidene)-2-methyl-3-(1H-pyrrol-2-yl)guanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine
CID 158968325
N,2-dimethyl-6-methylimino-N-(1H-pyrrol-2-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,4-dimethyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;6-N-(furan-2-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-2-yl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(furan-2-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-2-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-methyl-6-methylimino-N-(1H-pyrrol-2-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N,6-N,6-N,2,5-pentamethyl-4-N-(1H-pyrrol-2-yl)-2H-1,3,5-triazine-4,6-diamine;2-N,2-N,6-N,4-tetramethyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;6-N,6-N,4-trimethyl-2-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 161438656
CID 162177580
CID 162177580
3-N-methyl-3-N-[4-[[methyl-[5-[methyl(1H-pyrrol-2-yl)amino]-1H-1,2,4-triazol-3-yl]amino]methyl]furan-2-yl]-1H-1,2,4-triazole-3,5-diamine
CID 163543122
6-N-(furan-2-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-2-yl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(furan-2-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-2-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N-(furan-2-yl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(furan-2-yl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-(furan-2-yl)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N,6-N,6-N,2,5-pentamethyl-4-N-(1H-pyrrol-2-yl)-2H-1,3,5-triazine-4,6-diamine;2-N,2-N,6-N,4-tetramethyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;6-N,6-N,4-trimethyl-2-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 165035648

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N,4-tetramethyl-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 2-N,2-N,6-N,4-tetramethyl-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 123651248) is 2-N,2-N,6-N,4-tetramethyl-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 2-N,2-N,6-N,4-tetramethyl-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 2-N,2-N,6-N,4-tetramethyl-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(C)Cc2coc(N(C)C3=NC(C)N=C(N(C)C)N3)c2)NC(N(C)c2ccc[nH]2)=N1.
What is the InChIKey of 2-N,2-N,6-N,4-tetramethyl-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 RLROGRBDNRNBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N11O/c1-14-24-19(30(3)4)28-22(27-14)33(7)18-11-16(13-34-18)12-31(5)20-25-15(2)26-21(29-20)32(6)17-9-8-10-23-17/h8-11,13-15,23H,12H2,1-7H3,(H,24,27,28)(H,25,26,29).
What are the key properties of 2-N,2-N,6-N,4-tetramethyl-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?
2-N,2-N,6-N,4-tetramethyl-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 467.58 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N,4-tetramethyl-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 123651248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).