2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine

C23H21N7 — CID 16910758

IUPAC2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine
SMILESCc1ccc(Nc2nc(NCCc3cc4ccccc4[nH]3)nc3nccnc23)cc1
InChIInChI=1S/C23H21N7/c1-15-6-8-17(9-7-15)28-22-20-21(25-13-12-24-20)29-23(30-22)26-11-10-18-14-16-4-2-3-5-19(16)27-18/h2-9,12-14,27H,10-11H2,1H3,(H2,25,26,28,29,30)
InChIKeyBOSBFKPCYOJSBJ-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.61
Rot. Bonds6

About 2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine

2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine (PubChem CID 16910758) has the molecular formula C23H21N7 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine
PubChem CID16910758
Molecular FormulaC23H21N7
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine
SMILESCc1ccc(Nc2nc(NCCc3cc4ccccc4[nH]3)nc3nccnc23)cc1
InChIInChI=1S/C23H21N7/c1-15-6-8-17(9-7-15)28-22-20-21(25-13-12-24-20)29-23(30-22)26-11-10-18-14-16-4-2-3-5-19(16)27-18/h2-9,12-14,27H,10-11H2,1H3,(H2,25,26,28,29,30)
InChIKeyBOSBFKPCYOJSBJ-UHFFFAOYSA-N
XLogP4.61
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910744
2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol
CID 16910759
4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine
CID 16911130
4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine
CID 51699968
4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16911015
3-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-1-ol
CID 16910856
2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16910766
2-N-benzyl-4-N-phenylpteridine-2,4-diamine
CID 16911184
4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine
CID 16910978
1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol
CID 16910874
4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine
CID 16911002
2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine
CID 16910992

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine?
The IUPAC name of 2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine (CID 16910758) is 2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine?
The canonical SMILES for 2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine is Cc1ccc(Nc2nc(NCCc3cc4ccccc4[nH]3)nc3nccnc23)cc1.
What is the InChIKey of 2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine?
The InChIKey is BOSBFKPCYOJSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7/c1-15-6-8-17(9-7-15)28-22-20-21(25-13-12-24-20)29-23(30-22)26-11-10-18-14-16-4-2-3-5-19(16)27-18/h2-9,12-14,27H,10-11H2,1H3,(H2,25,26,28,29,30).
What are the key properties of 2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine?
2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine has a molecular weight of 395.47 g/mol, XLogP of 4.61, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine is sourced from PubChem (CID 16910758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).