(2-methoxypyrimidin-5-yl)-(thiolan-2-yl)methanone

C10H12N2O2S — CID 130533796

IUPAC(2-methoxypyrimidin-5-yl)-(thiolan-2-yl)methanone
SMILESCOc1ncc(C(=O)C2CCCS2)cn1
InChIInChI=1S/C10H12N2O2S/c1-14-10-11-5-7(6-12-10)9(13)8-3-2-4-15-8/h5-6,8H,2-4H2,1H3
InChIKeyOMXKUDGDTWQZNB-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.56
Rot. Bonds3

About (2-methoxypyrimidin-5-yl)-(thiolan-2-yl)methanone

(2-methoxypyrimidin-5-yl)-(thiolan-2-yl)methanone (PubChem CID 130533796) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is (2-methoxypyrimidin-5-yl)-(thiolan-2-yl)methanone.

Molecular Properties

Compound Name(2-methoxypyrimidin-5-yl)-(thiolan-2-yl)methanone
PubChem CID130533796
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name(2-methoxypyrimidin-5-yl)-(thiolan-2-yl)methanone
SMILESCOc1ncc(C(=O)C2CCCS2)cn1
InChIInChI=1S/C10H12N2O2S/c1-14-10-11-5-7(6-12-10)9(13)8-3-2-4-15-8/h5-6,8H,2-4H2,1H3
InChIKeyOMXKUDGDTWQZNB-UHFFFAOYSA-N
XLogP1.56
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pyrimidin-5-yl(thiolan-2-yl)methanone
CID 80622174
(4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
CID 114641814
N-cycloheptyl-2-methoxypyrimidine-5-carboxamide
CID 51364566
(4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
CID 114518933
(2-methoxy-3,4-dimethylphenyl)-(thiolan-2-yl)methanone
CID 103433008
(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanone
CID 80621939
(4-bromo-2-methoxyphenyl)-(thiolan-2-yl)methanone
CID 115369391
(4-bromo-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
CID 114641811
(4-propan-2-yloxyphenyl)-(thian-2-yl)methanone
CID 80622537
(4-chloro-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
CID 114641810
(4-bromophenyl)-(thian-2-yl)methanone
CID 80596285
(3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
CID 114521229

Frequently Asked Questions

What is the IUPAC name of (2-methoxypyrimidin-5-yl)-(thiolan-2-yl)methanone?
The IUPAC name of (2-methoxypyrimidin-5-yl)-(thiolan-2-yl)methanone (CID 130533796) is (2-methoxypyrimidin-5-yl)-(thiolan-2-yl)methanone.
What is the SMILES notation for (2-methoxypyrimidin-5-yl)-(thiolan-2-yl)methanone?
The canonical SMILES for (2-methoxypyrimidin-5-yl)-(thiolan-2-yl)methanone is COc1ncc(C(=O)C2CCCS2)cn1.
What is the InChIKey of (2-methoxypyrimidin-5-yl)-(thiolan-2-yl)methanone?
The InChIKey is OMXKUDGDTWQZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-14-10-11-5-7(6-12-10)9(13)8-3-2-4-15-8/h5-6,8H,2-4H2,1H3.
What are the key properties of (2-methoxypyrimidin-5-yl)-(thiolan-2-yl)methanone?
(2-methoxypyrimidin-5-yl)-(thiolan-2-yl)methanone has a molecular weight of 224.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxypyrimidin-5-yl)-(thiolan-2-yl)methanone is sourced from PubChem (CID 130533796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).