4-(1-methylpiperidin-3-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one

C14H17N3OS — CID 135876465

IUPAC4-(1-methylpiperidin-3-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one
SMILESCN1CCCC(c2cc(=O)[nH]c(-c3cccs3)n2)C1
InChIInChI=1S/C14H17N3OS/c1-17-6-2-4-10(9-17)11-8-13(18)16-14(15-11)12-5-3-7-19-12/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,15,16,18)
InChIKeyCOTXYAFILXUJDL-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.31
Rot. Bonds2

About 4-(1-methylpiperidin-3-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one

4-(1-methylpiperidin-3-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one (PubChem CID 135876465) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-(1-methylpiperidin-3-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-methylpiperidin-3-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one
PubChem CID135876465
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-(1-methylpiperidin-3-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one
SMILESCN1CCCC(c2cc(=O)[nH]c(-c3cccs3)n2)C1
InChIInChI=1S/C14H17N3OS/c1-17-6-2-4-10(9-17)11-8-13(18)16-14(15-11)12-5-3-7-19-12/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,15,16,18)
InChIKeyCOTXYAFILXUJDL-UHFFFAOYSA-N
XLogP2.31
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-3-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-methylpiperidin-3-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one (CID 135876465) is 4-(1-methylpiperidin-3-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-methylpiperidin-3-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-methylpiperidin-3-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one is CN1CCCC(c2cc(=O)[nH]c(-c3cccs3)n2)C1.
What is the InChIKey of 4-(1-methylpiperidin-3-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one?
The InChIKey is COTXYAFILXUJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-17-6-2-4-10(9-17)11-8-13(18)16-14(15-11)12-5-3-7-19-12/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,15,16,18).
What are the key properties of 4-(1-methylpiperidin-3-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one?
4-(1-methylpiperidin-3-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one has a molecular weight of 275.38 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-3-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135876465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).