3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol

C11H15N3O2S — CID 103331610

IUPAC3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol
SMILESCCc1cc2c(OCCCO)nc(N)nc2s1
InChIInChI=1S/C11H15N3O2S/c1-2-7-6-8-9(16-5-3-4-15)13-11(12)14-10(8)17-7/h6,15H,2-5H2,1H3,(H2,12,13,14)
InChIKeyWPGAVIOUVLBMCZ-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.60
Rot. Bonds5

About 3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol

3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol (PubChem CID 103331610) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol.

Molecular Properties

Compound Name3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol
PubChem CID103331610
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol
SMILESCCc1cc2c(OCCCO)nc(N)nc2s1
InChIInChI=1S/C11H15N3O2S/c1-2-7-6-8-9(16-5-3-4-15)13-11(12)14-10(8)17-7/h6,15H,2-5H2,1H3,(H2,12,13,14)
InChIKeyWPGAVIOUVLBMCZ-UHFFFAOYSA-N
XLogP1.60
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxyethanol
CID 103331574
6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine
CID 103333367
6-ethyl-4-(2-ethylhexoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331283
6-ethyl-4-(thiophen-2-ylmethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332219
4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331829
6-ethyl-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331898
4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331259
6-ethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331942
6-ethyl-4-(3-methoxyphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331770
4-(5-chloro-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332918
6-ethyl-4-(3-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331559
[6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336025

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol?
The IUPAC name of 3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol (CID 103331610) is 3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol.
What is the SMILES notation for 3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol?
The canonical SMILES for 3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol is CCc1cc2c(OCCCO)nc(N)nc2s1.
What is the InChIKey of 3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol?
The InChIKey is WPGAVIOUVLBMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-2-7-6-8-9(16-5-3-4-15)13-11(12)14-10(8)17-7/h6,15H,2-5H2,1H3,(H2,12,13,14).
What are the key properties of 3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol?
3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol has a molecular weight of 253.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol is sourced from PubChem (CID 103331610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).