6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine

C22H26N8O3 — CID 67015784

IUPAC6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccco2)nc(Nc2ccc3nc(CN4CCOCC4)[nH]c3c2)n1
InChIInChI=1S/C22H26N8O3/c1-2-32-22-28-20(23-13-16-4-3-9-33-16)27-21(29-22)24-15-5-6-17-18(12-15)26-19(25-17)14-30-7-10-31-11-8-30/h3-6,9,12H,2,7-8,10-11,13-14H2,1H3,(H,25,26)(H2,23,24,27,28,29)
InChIKeyJNQCWACLJUNRTJ-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.93
Rot. Bonds9

About 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine

6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 67015784) has the molecular formula C22H26N8O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine
PubChem CID67015784
Molecular FormulaC22H26N8O3
Molecular Weight450.50 g/mol
Exact Mass450.21
IUPAC Name6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccco2)nc(Nc2ccc3nc(CN4CCOCC4)[nH]c3c2)n1
InChIInChI=1S/C22H26N8O3/c1-2-32-22-28-20(23-13-16-4-3-9-33-16)27-21(29-22)24-15-5-6-17-18(12-15)26-19(25-17)14-30-7-10-31-11-8-30/h3-6,9,12H,2,7-8,10-11,13-14H2,1H3,(H,25,26)(H2,23,24,27,28,29)
InChIKeyJNQCWACLJUNRTJ-UHFFFAOYSA-N
XLogP2.93
TPSA126.25 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-[(5-methylfuran-2-yl)methyl]-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 67016049
2-N-(4-bromophenyl)-6-ethoxy-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 58039345
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine
CID 58040142
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-pyridin-3-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 58040274
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 58039571
4-ethoxy-N-(furan-2-ylmethyl)-6-methyl-1,3,5-triazin-2-amine
CID 143835245
2-[[[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]amino]methylidene]propanedinitrile
CID 168543114
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-pyridin-3-yl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine
CID 58039805
2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-amine;hydrochloride
CID 11948880
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine
CID 58040162
2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine
CID 96680191
4-N-[(5-methylfuran-2-yl)methyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 58040158

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine (CID 67015784) is 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine is CCOc1nc(NCc2ccco2)nc(Nc2ccc3nc(CN4CCOCC4)[nH]c3c2)n1.
What is the InChIKey of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is JNQCWACLJUNRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O3/c1-2-32-22-28-20(23-13-16-4-3-9-33-16)27-21(29-22)24-15-5-6-17-18(12-15)26-19(25-17)14-30-7-10-31-11-8-30/h3-6,9,12H,2,7-8,10-11,13-14H2,1H3,(H,25,26)(H2,23,24,27,28,29).
What are the key properties of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 450.50 g/mol, XLogP of 2.93, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67015784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).