3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one

C14H16N4OS — CID 116620741

IUPAC3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCc1cc(Cn2cnc3ccsc3c2=O)n(CC)n1
InChIInChI=1S/C14H16N4OS/c1-3-10-7-11(18(4-2)16-10)8-17-9-15-12-5-6-20-13(12)14(17)19/h5-7,9H,3-4,8H2,1-2H3
InChIKeySWRBFNLFNZAIDD-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.29
Rot. Bonds4

About 3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one

3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 116620741) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID116620741
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCc1cc(Cn2cnc3ccsc3c2=O)n(CC)n1
InChIInChI=1S/C14H16N4OS/c1-3-10-7-11(18(4-2)16-10)8-17-9-15-12-5-6-20-13(12)14(17)19/h5-7,9H,3-4,8H2,1-2H3
InChIKeySWRBFNLFNZAIDD-UHFFFAOYSA-N
XLogP2.29
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 116620741) is 3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one is CCc1cc(Cn2cnc3ccsc3c2=O)n(CC)n1.
What is the InChIKey of 3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is SWRBFNLFNZAIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-3-10-7-11(18(4-2)16-10)8-17-9-15-12-5-6-20-13(12)14(17)19/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 288.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 116620741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).