(5-methoxythiophen-2-yl)-pyrimidin-2-ylmethanone

C10H8N2O2S — CID 130587599

IUPAC(5-methoxythiophen-2-yl)-pyrimidin-2-ylmethanone
SMILESCOc1ccc(C(=O)c2ncccn2)s1
InChIInChI=1S/C10H8N2O2S/c1-14-8-4-3-7(15-8)9(13)10-11-5-2-6-12-10/h2-6H,1H3
InChIKeySYBQJLAONJBFIY-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.78
Rot. Bonds3

About (5-methoxythiophen-2-yl)-pyrimidin-2-ylmethanone

(5-methoxythiophen-2-yl)-pyrimidin-2-ylmethanone (PubChem CID 130587599) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is (5-methoxythiophen-2-yl)-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(5-methoxythiophen-2-yl)-pyrimidin-2-ylmethanone
PubChem CID130587599
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name(5-methoxythiophen-2-yl)-pyrimidin-2-ylmethanone
SMILESCOc1ccc(C(=O)c2ncccn2)s1
InChIInChI=1S/C10H8N2O2S/c1-14-8-4-3-7(15-8)9(13)10-11-5-2-6-12-10/h2-6H,1H3
InChIKeySYBQJLAONJBFIY-UHFFFAOYSA-N
XLogP1.78
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methoxythiophene-2-carbonyl)benzoic acid
CID 11777477
(5-methoxythiophen-2-yl)-thiophen-2-ylmethanone;thiophene
CID 173279551
N-(1H-imidazol-2-ylmethyl)-5-methoxythiophene-2-carboxamide
CID 110245789
(2-methoxy-1,3-thiazol-5-yl)-pyridin-2-ylmethanone
CID 130593048
2-(5-methoxythiophen-2-yl)pyridin-3-amine
CID 130587807
(2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone
CID 102830634
(3-aminooxolan-3-yl)-(5-methoxythiophen-2-yl)methanone
CID 130588023
pyrimidin-2-yl(thiophen-3-yl)methanone
CID 65100047
(5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105122606
N-methoxypyrimidine-2-carboxamide
CID 115635317
(5-chlorothiophen-2-yl)-pyridin-2-ylmethanone
CID 53401492
(E)-3-(2,5-dihydroxyphenyl)-1-(5-methoxythiophen-2-yl)prop-2-en-1-one
CID 176768110

Frequently Asked Questions

What is the IUPAC name of (5-methoxythiophen-2-yl)-pyrimidin-2-ylmethanone?
The IUPAC name of (5-methoxythiophen-2-yl)-pyrimidin-2-ylmethanone (CID 130587599) is (5-methoxythiophen-2-yl)-pyrimidin-2-ylmethanone.
What is the SMILES notation for (5-methoxythiophen-2-yl)-pyrimidin-2-ylmethanone?
The canonical SMILES for (5-methoxythiophen-2-yl)-pyrimidin-2-ylmethanone is COc1ccc(C(=O)c2ncccn2)s1.
What is the InChIKey of (5-methoxythiophen-2-yl)-pyrimidin-2-ylmethanone?
The InChIKey is SYBQJLAONJBFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-14-8-4-3-7(15-8)9(13)10-11-5-2-6-12-10/h2-6H,1H3.
What are the key properties of (5-methoxythiophen-2-yl)-pyrimidin-2-ylmethanone?
(5-methoxythiophen-2-yl)-pyrimidin-2-ylmethanone has a molecular weight of 220.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxythiophen-2-yl)-pyrimidin-2-ylmethanone is sourced from PubChem (CID 130587599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).