(4,6-dimethoxypyrimidin-5-yl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone

C15H22N4O3S — CID 154750114

IUPAC(4,6-dimethoxypyrimidin-5-yl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone
SMILESCOc1ncnc(OC)c1C(=O)N1CCN(C2CCSC2)CC1
InChIInChI=1S/C15H22N4O3S/c1-21-13-12(14(22-2)17-10-16-13)15(20)19-6-4-18(5-7-19)11-3-8-23-9-11/h10-11H,3-9H2,1-2H3
InChIKeyFDWJGLCGMVISME-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.76
Rot. Bonds4

About (4,6-dimethoxypyrimidin-5-yl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone

(4,6-dimethoxypyrimidin-5-yl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone (PubChem CID 154750114) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is (4,6-dimethoxypyrimidin-5-yl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4,6-dimethoxypyrimidin-5-yl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone
PubChem CID154750114
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name(4,6-dimethoxypyrimidin-5-yl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone
SMILESCOc1ncnc(OC)c1C(=O)N1CCN(C2CCSC2)CC1
InChIInChI=1S/C15H22N4O3S/c1-21-13-12(14(22-2)17-10-16-13)15(20)19-6-4-18(5-7-19)11-3-8-23-9-11/h10-11H,3-9H2,1-2H3
InChIKeyFDWJGLCGMVISME-UHFFFAOYSA-N
XLogP0.76
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxypyrimidin-5-yl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (4,6-dimethoxypyrimidin-5-yl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone (CID 154750114) is (4,6-dimethoxypyrimidin-5-yl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4,6-dimethoxypyrimidin-5-yl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4,6-dimethoxypyrimidin-5-yl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone is COc1ncnc(OC)c1C(=O)N1CCN(C2CCSC2)CC1.
What is the InChIKey of (4,6-dimethoxypyrimidin-5-yl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone?
The InChIKey is FDWJGLCGMVISME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-21-13-12(14(22-2)17-10-16-13)15(20)19-6-4-18(5-7-19)11-3-8-23-9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of (4,6-dimethoxypyrimidin-5-yl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone?
(4,6-dimethoxypyrimidin-5-yl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone has a molecular weight of 338.43 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxypyrimidin-5-yl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 154750114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).