(3-ethylthiophen-2-yl)-(2-methoxypyrimidin-5-yl)methanol

C12H14N2O2S — CID 112747714

IUPAC(3-ethylthiophen-2-yl)-(2-methoxypyrimidin-5-yl)methanol
SMILESCCc1ccsc1C(O)c1cnc(OC)nc1
InChIInChI=1S/C12H14N2O2S/c1-3-8-4-5-17-11(8)10(15)9-6-13-12(16-2)14-7-9/h4-7,10,15H,3H2,1-2H3
InChIKeyMFOGVIDGLVLKDE-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.19
Rot. Bonds4

About (3-ethylthiophen-2-yl)-(2-methoxypyrimidin-5-yl)methanol

(3-ethylthiophen-2-yl)-(2-methoxypyrimidin-5-yl)methanol (PubChem CID 112747714) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-(2-methoxypyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-(2-methoxypyrimidin-5-yl)methanol
PubChem CID112747714
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name(3-ethylthiophen-2-yl)-(2-methoxypyrimidin-5-yl)methanol
SMILESCCc1ccsc1C(O)c1cnc(OC)nc1
InChIInChI=1S/C12H14N2O2S/c1-3-8-4-5-17-11(8)10(15)9-6-13-12(16-2)14-7-9/h4-7,10,15H,3H2,1-2H3
InChIKeyMFOGVIDGLVLKDE-UHFFFAOYSA-N
XLogP2.19
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-(2-methoxypyrimidin-5-yl)methanol?
The IUPAC name of (3-ethylthiophen-2-yl)-(2-methoxypyrimidin-5-yl)methanol (CID 112747714) is (3-ethylthiophen-2-yl)-(2-methoxypyrimidin-5-yl)methanol.
What is the SMILES notation for (3-ethylthiophen-2-yl)-(2-methoxypyrimidin-5-yl)methanol?
The canonical SMILES for (3-ethylthiophen-2-yl)-(2-methoxypyrimidin-5-yl)methanol is CCc1ccsc1C(O)c1cnc(OC)nc1.
What is the InChIKey of (3-ethylthiophen-2-yl)-(2-methoxypyrimidin-5-yl)methanol?
The InChIKey is MFOGVIDGLVLKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-8-4-5-17-11(8)10(15)9-6-13-12(16-2)14-7-9/h4-7,10,15H,3H2,1-2H3.
What are the key properties of (3-ethylthiophen-2-yl)-(2-methoxypyrimidin-5-yl)methanol?
(3-ethylthiophen-2-yl)-(2-methoxypyrimidin-5-yl)methanol has a molecular weight of 250.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-(2-methoxypyrimidin-5-yl)methanol is sourced from PubChem (CID 112747714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).