1-(2-amino-4-butoxypteridin-6-yl)ethanol

C12H17N5O2 — CID 15929244

IUPAC1-(2-amino-4-butoxypteridin-6-yl)ethanol
SMILESCCCCOc1nc(N)nc2ncc(C(C)O)nc12
InChIInChI=1S/C12H17N5O2/c1-3-4-5-19-11-9-10(16-12(13)17-11)14-6-8(15-9)7(2)18/h6-7,18H,3-5H2,1-2H3,(H2,13,14,16,17)
InChIKeyZKFUWXXEYWEDBR-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.23
Rot. Bonds5

About 1-(2-amino-4-butoxypteridin-6-yl)ethanol

1-(2-amino-4-butoxypteridin-6-yl)ethanol (PubChem CID 15929244) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(2-amino-4-butoxypteridin-6-yl)ethanol.

Molecular Properties

Compound Name1-(2-amino-4-butoxypteridin-6-yl)ethanol
PubChem CID15929244
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-(2-amino-4-butoxypteridin-6-yl)ethanol
SMILESCCCCOc1nc(N)nc2ncc(C(C)O)nc12
InChIInChI=1S/C12H17N5O2/c1-3-4-5-19-11-9-10(16-12(13)17-11)14-6-8(15-9)7(2)18/h6-7,18H,3-5H2,1-2H3,(H2,13,14,16,17)
InChIKeyZKFUWXXEYWEDBR-UHFFFAOYSA-N
XLogP1.23
TPSA107.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-butoxypteridin-6-yl)ethanone
CID 102402627
4-butoxy-6-(4-fluorophenyl)pteridin-2-amine;6-(4-fluorophenyl)-4-(2-methoxyethoxy)pteridin-2-amine;6-(4-fluorophenyl)-4-propan-2-yloxypteridin-2-amine
CID 87729687
4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine
CID 68779202
6-(1-bromoethyl)pteridine-2,4-diamine;hydrobromide
CID 18540584
4-ethoxy-6-(1H-pyrazol-5-yl)pteridin-2-amine
CID 68773249
4-ethoxy-6-quinolin-3-ylpteridin-2-amine
CID 68775878
(2,4-diamino-6-butoxypyrimidin-5-yl) hydrogen sulfate
CID 70926549
2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-3H-pteridin-4-one;(1R,2S)-1-(2,4-diaminopteridin-6-yl)propane-1,2-diol
CID 167673494
1-(5-butoxypyrimidin-2-yl)ethanol
CID 170050824
4-ethoxy-6-pyridin-3-ylpteridin-2-amine
CID 68775933
6-(4-tert-butylphenyl)-4-ethoxypteridin-2-amine
CID 68774162
6-(2,6-dichlorophenyl)-4-ethoxypteridin-2-amine
CID 24794686

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-butoxypteridin-6-yl)ethanol?
The IUPAC name of 1-(2-amino-4-butoxypteridin-6-yl)ethanol (CID 15929244) is 1-(2-amino-4-butoxypteridin-6-yl)ethanol.
What is the SMILES notation for 1-(2-amino-4-butoxypteridin-6-yl)ethanol?
The canonical SMILES for 1-(2-amino-4-butoxypteridin-6-yl)ethanol is CCCCOc1nc(N)nc2ncc(C(C)O)nc12.
What is the InChIKey of 1-(2-amino-4-butoxypteridin-6-yl)ethanol?
The InChIKey is ZKFUWXXEYWEDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-3-4-5-19-11-9-10(16-12(13)17-11)14-6-8(15-9)7(2)18/h6-7,18H,3-5H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 1-(2-amino-4-butoxypteridin-6-yl)ethanol?
1-(2-amino-4-butoxypteridin-6-yl)ethanol has a molecular weight of 263.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-butoxypteridin-6-yl)ethanol is sourced from PubChem (CID 15929244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).