2-[(4-ethyl-5-fluoropyrimidin-2-yl)oxymethyl]thieno[2,3-b]pyridine

C14H12FN3OS — CID 118311944

IUPAC2-[(4-ethyl-5-fluoropyrimidin-2-yl)oxymethyl]thieno[2,3-b]pyridine
SMILESCCc1nc(OCc2cc3cccnc3s2)ncc1F
InChIInChI=1S/C14H12FN3OS/c1-2-12-11(15)7-17-14(18-12)19-8-10-6-9-4-3-5-16-13(9)20-10/h3-7H,2,8H2,1H3
InChIKeyFXECNNFQVVHLCJ-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.37
Rot. Bonds4

About 2-[(4-ethyl-5-fluoropyrimidin-2-yl)oxymethyl]thieno[2,3-b]pyridine

2-[(4-ethyl-5-fluoropyrimidin-2-yl)oxymethyl]thieno[2,3-b]pyridine (PubChem CID 118311944) has the molecular formula C14H12FN3OS and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(4-ethyl-5-fluoropyrimidin-2-yl)oxymethyl]thieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-[(4-ethyl-5-fluoropyrimidin-2-yl)oxymethyl]thieno[2,3-b]pyridine
PubChem CID118311944
Molecular FormulaC14H12FN3OS
Molecular Weight289.33 g/mol
Exact Mass289.07
IUPAC Name2-[(4-ethyl-5-fluoropyrimidin-2-yl)oxymethyl]thieno[2,3-b]pyridine
SMILESCCc1nc(OCc2cc3cccnc3s2)ncc1F
InChIInChI=1S/C14H12FN3OS/c1-2-12-11(15)7-17-14(18-12)19-8-10-6-9-4-3-5-16-13(9)20-10/h3-7H,2,8H2,1H3
InChIKeyFXECNNFQVVHLCJ-UHFFFAOYSA-N
XLogP3.37
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(6-Methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine
CID 122178114
6-(2-Methoxypyrimidin-5-yl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine
CID 122178115
2-(1,3-Benzothiazol-2-yl)-2-(2-phenylmethoxypyrimidin-4-yl)acetonitrile
CID 11291302
6-(5-Fluoro-6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine
CID 122178116
5-Thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 155553171
3-Pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole
CID 155560417
4-Methoxypyrido(3',2':4,5)thieno(3,2-d)pyrimidine
CID 2823821
Ethyl 2-methylthiothieno-[2,3-d]pyrimidine-6-carboxylate
CID 129786501
2-Methyl-4-[4-(3-pyridinylmethoxy)-1-piperidinyl]thieno[2,3-d]pyrimidine
CID 70738861
4-[4-[(1S)-1-methoxyethyl]phenyl]-6-methylthieno[2,3-d]pyrimidine
CID 164630488
5-Fluoro-2-[(5-pyridin-2-ylthiophen-2-yl)methoxy]pyrimidin-4-amine
CID 57818592
5-Fluoro-2-(thieno[2,3-b]pyridin-2-ylmethoxy)pyrimidin-4-amine
CID 57818690

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-fluoropyrimidin-2-yl)oxymethyl]thieno[2,3-b]pyridine?
The IUPAC name of 2-[(4-ethyl-5-fluoropyrimidin-2-yl)oxymethyl]thieno[2,3-b]pyridine (CID 118311944) is 2-[(4-ethyl-5-fluoropyrimidin-2-yl)oxymethyl]thieno[2,3-b]pyridine.
What is the SMILES notation for 2-[(4-ethyl-5-fluoropyrimidin-2-yl)oxymethyl]thieno[2,3-b]pyridine?
The canonical SMILES for 2-[(4-ethyl-5-fluoropyrimidin-2-yl)oxymethyl]thieno[2,3-b]pyridine is CCc1nc(OCc2cc3cccnc3s2)ncc1F.
What is the InChIKey of 2-[(4-ethyl-5-fluoropyrimidin-2-yl)oxymethyl]thieno[2,3-b]pyridine?
The InChIKey is FXECNNFQVVHLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-2-12-11(15)7-17-14(18-12)19-8-10-6-9-4-3-5-16-13(9)20-10/h3-7H,2,8H2,1H3.
What are the key properties of 2-[(4-ethyl-5-fluoropyrimidin-2-yl)oxymethyl]thieno[2,3-b]pyridine?
2-[(4-ethyl-5-fluoropyrimidin-2-yl)oxymethyl]thieno[2,3-b]pyridine has a molecular weight of 289.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-fluoropyrimidin-2-yl)oxymethyl]thieno[2,3-b]pyridine is sourced from PubChem (CID 118311944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).