(3-ethylthiophen-2-yl)-pyrimidin-5-ylmethanol

C11H12N2OS — CID 115781662

IUPAC(3-ethylthiophen-2-yl)-pyrimidin-5-ylmethanol
SMILESCCc1ccsc1C(O)c1cncnc1
InChIInChI=1S/C11H12N2OS/c1-2-8-3-4-15-11(8)10(14)9-5-12-7-13-6-9/h3-7,10,14H,2H2,1H3
InChIKeyVSSGNFRIMPEZLJ-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.18
Rot. Bonds3

About (3-ethylthiophen-2-yl)-pyrimidin-5-ylmethanol

(3-ethylthiophen-2-yl)-pyrimidin-5-ylmethanol (PubChem CID 115781662) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-pyrimidin-5-ylmethanol
PubChem CID115781662
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name(3-ethylthiophen-2-yl)-pyrimidin-5-ylmethanol
SMILESCCc1ccsc1C(O)c1cncnc1
InChIInChI=1S/C11H12N2OS/c1-2-8-3-4-15-11(8)10(14)9-5-12-7-13-6-9/h3-7,10,14H,2H2,1H3
InChIKeyVSSGNFRIMPEZLJ-UHFFFAOYSA-N
XLogP2.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-pyrimidin-5-ylmethanol?
The IUPAC name of (3-ethylthiophen-2-yl)-pyrimidin-5-ylmethanol (CID 115781662) is (3-ethylthiophen-2-yl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (3-ethylthiophen-2-yl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (3-ethylthiophen-2-yl)-pyrimidin-5-ylmethanol is CCc1ccsc1C(O)c1cncnc1.
What is the InChIKey of (3-ethylthiophen-2-yl)-pyrimidin-5-ylmethanol?
The InChIKey is VSSGNFRIMPEZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-8-3-4-15-11(8)10(14)9-5-12-7-13-6-9/h3-7,10,14H,2H2,1H3.
What are the key properties of (3-ethylthiophen-2-yl)-pyrimidin-5-ylmethanol?
(3-ethylthiophen-2-yl)-pyrimidin-5-ylmethanol has a molecular weight of 220.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 115781662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).