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

C9H10N2OS — CID 80622174

IUPACpyrimidin-5-yl(thiolan-2-yl)methanone
SMILESO=C(c1cncnc1)C1CCCS1
InChIInChI=1S/C9H10N2OS/c12-9(8-2-1-3-13-8)7-4-10-6-11-5-7/h4-6,8H,1-3H2
InChIKeyQDWNGCMALSUREQ-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.55
Rot. Bonds2

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

pyrimidin-5-yl(thiolan-2-yl)methanone (PubChem CID 80622174) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is pyrimidin-5-yl(thiolan-2-yl)methanone.

Molecular Properties

Compound Namepyrimidin-5-yl(thiolan-2-yl)methanone
PubChem CID80622174
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Namepyrimidin-5-yl(thiolan-2-yl)methanone
SMILESO=C(c1cncnc1)C1CCCS1
InChIInChI=1S/C9H10N2OS/c12-9(8-2-1-3-13-8)7-4-10-6-11-5-7/h4-6,8H,1-3H2
InChIKeyQDWNGCMALSUREQ-UHFFFAOYSA-N
XLogP1.55
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-yl(thiolan-2-yl)methanone?
The IUPAC name of pyrimidin-5-yl(thiolan-2-yl)methanone (CID 80622174) is pyrimidin-5-yl(thiolan-2-yl)methanone.
What is the SMILES notation for pyrimidin-5-yl(thiolan-2-yl)methanone?
The canonical SMILES for pyrimidin-5-yl(thiolan-2-yl)methanone is O=C(c1cncnc1)C1CCCS1.
What is the InChIKey of pyrimidin-5-yl(thiolan-2-yl)methanone?
The InChIKey is QDWNGCMALSUREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c12-9(8-2-1-3-13-8)7-4-10-6-11-5-7/h4-6,8H,1-3H2.
What are the key properties of pyrimidin-5-yl(thiolan-2-yl)methanone?
pyrimidin-5-yl(thiolan-2-yl)methanone has a molecular weight of 194.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-yl(thiolan-2-yl)methanone is sourced from PubChem (CID 80622174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).