2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol

C17H20N6O2 — CID 16910759

IUPAC2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol
SMILESCc1ccc(Nc2nc(NCCOCCO)nc3nccnc23)cc1
InChIInChI=1S/C17H20N6O2/c1-12-2-4-13(5-3-12)21-16-14-15(19-7-6-18-14)22-17(23-16)20-8-10-25-11-9-24/h2-7,24H,8-11H2,1H3,(H2,19,20,21,22,23)
InChIKeyUBWDINPWFXZWQU-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.89
Rot. Bonds8

About 2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol

2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol (PubChem CID 16910759) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol
PubChem CID16910759
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol
SMILESCc1ccc(Nc2nc(NCCOCCO)nc3nccnc23)cc1
InChIInChI=1S/C17H20N6O2/c1-12-2-4-13(5-3-12)21-16-14-15(19-7-6-18-14)22-17(23-16)20-8-10-25-11-9-24/h2-7,24H,8-11H2,1H3,(H2,19,20,21,22,23)
InChIKeyUBWDINPWFXZWQU-UHFFFAOYSA-N
XLogP1.89
TPSA105.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910744
3-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-1-ol
CID 16910856
2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16910758
2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16910766
4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16911015
1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol
CID 16910874
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
CID 16910815
4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine
CID 16910978
2-N-benzyl-4-N-phenylpteridine-2,4-diamine
CID 16911184
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
2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol
CID 60732417

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol (CID 16910759) is 2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol is Cc1ccc(Nc2nc(NCCOCCO)nc3nccnc23)cc1.
What is the InChIKey of 2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol?
The InChIKey is UBWDINPWFXZWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12-2-4-13(5-3-12)21-16-14-15(19-7-6-18-14)22-17(23-16)20-8-10-25-11-9-24/h2-7,24H,8-11H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol?
2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol has a molecular weight of 340.39 g/mol, XLogP of 1.89, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 16910759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).