6-(5-ethyl-1H-pyrazol-4-yl)-1,2,2-trimethyl-3H-thieno[3,2-d]pyrimidin-4-one

C14H18N4OS — CID 66743877

IUPAC6-(5-ethyl-1H-pyrazol-4-yl)-1,2,2-trimethyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCc1[nH]ncc1-c1cc2c(s1)C(=O)NC(C)(C)N2C
InChIInChI=1S/C14H18N4OS/c1-5-9-8(7-15-17-9)11-6-10-12(20-11)13(19)16-14(2,3)18(10)4/h6-7H,5H2,1-4H3,(H,15,17)(H,16,19)
InChIKeyPWTPFCZIUPMVTG-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.62
Rot. Bonds2

About 6-(5-ethyl-1H-pyrazol-4-yl)-1,2,2-trimethyl-3H-thieno[3,2-d]pyrimidin-4-one

6-(5-ethyl-1H-pyrazol-4-yl)-1,2,2-trimethyl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 66743877) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-(5-ethyl-1H-pyrazol-4-yl)-1,2,2-trimethyl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(5-ethyl-1H-pyrazol-4-yl)-1,2,2-trimethyl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID66743877
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name6-(5-ethyl-1H-pyrazol-4-yl)-1,2,2-trimethyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCc1[nH]ncc1-c1cc2c(s1)C(=O)NC(C)(C)N2C
InChIInChI=1S/C14H18N4OS/c1-5-9-8(7-15-17-9)11-6-10-12(20-11)13(19)16-14(2,3)18(10)4/h6-7H,5H2,1-4H3,(H,15,17)(H,16,19)
InChIKeyPWTPFCZIUPMVTG-UHFFFAOYSA-N
XLogP2.62
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-ethyl-1H-pyrazol-4-yl)-1,2,2-trimethyl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(5-ethyl-1H-pyrazol-4-yl)-1,2,2-trimethyl-3H-thieno[3,2-d]pyrimidin-4-one (CID 66743877) is 6-(5-ethyl-1H-pyrazol-4-yl)-1,2,2-trimethyl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(5-ethyl-1H-pyrazol-4-yl)-1,2,2-trimethyl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(5-ethyl-1H-pyrazol-4-yl)-1,2,2-trimethyl-3H-thieno[3,2-d]pyrimidin-4-one is CCc1[nH]ncc1-c1cc2c(s1)C(=O)NC(C)(C)N2C.
What is the InChIKey of 6-(5-ethyl-1H-pyrazol-4-yl)-1,2,2-trimethyl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is PWTPFCZIUPMVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-5-9-8(7-15-17-9)11-6-10-12(20-11)13(19)16-14(2,3)18(10)4/h6-7H,5H2,1-4H3,(H,15,17)(H,16,19).
What are the key properties of 6-(5-ethyl-1H-pyrazol-4-yl)-1,2,2-trimethyl-3H-thieno[3,2-d]pyrimidin-4-one?
6-(5-ethyl-1H-pyrazol-4-yl)-1,2,2-trimethyl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 290.39 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethyl-1H-pyrazol-4-yl)-1,2,2-trimethyl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 66743877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).