2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one

C12H14N2O2S — CID 136770437

IUPAC2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
SMILESCCOCc1nc(-c2ccsc2C)cc(=O)[nH]1
InChIInChI=1S/C12H14N2O2S/c1-3-16-7-11-13-10(6-12(15)14-11)9-4-5-17-8(9)2/h4-6H,3,7H2,1-2H3,(H,13,14,15)
InChIKeyXGLSDUGUNDXVBY-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.34
Rot. Bonds4

About 2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one

2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one (PubChem CID 136770437) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
PubChem CID136770437
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
SMILESCCOCc1nc(-c2ccsc2C)cc(=O)[nH]1
InChIInChI=1S/C12H14N2O2S/c1-3-16-7-11-13-10(6-12(15)14-11)9-4-5-17-8(9)2/h4-6H,3,7H2,1-2H3,(H,13,14,15)
InChIKeyXGLSDUGUNDXVBY-UHFFFAOYSA-N
XLogP2.34
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769346
2-(ethoxymethyl)-6-(2-methylthiophen-3-yl)pyrimidin-4-amine
CID 102838552
2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136692538
2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one
CID 136692419
2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770120
4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
CID 136770420
4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
CID 136770296
2-(4-chloro-1,3-thiazol-2-yl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 136623433
4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973722
4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one
CID 136986671
2-(ethoxymethyl)-4-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136955718
2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one
CID 136769457

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one (CID 136770437) is 2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one is CCOCc1nc(-c2ccsc2C)cc(=O)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one?
The InChIKey is XGLSDUGUNDXVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-16-7-11-13-10(6-12(15)14-11)9-4-5-17-8(9)2/h4-6H,3,7H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one?
2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one has a molecular weight of 250.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136770437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).