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

C13H16N4OS — CID 66743321

IUPAC1,2,2-trimethyl-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1[nH]ncc1-c1cc2c(s1)C(=O)NC(C)(C)N2C
InChIInChI=1S/C13H16N4OS/c1-7-8(6-14-16-7)10-5-9-11(19-10)12(18)15-13(2,3)17(9)4/h5-6H,1-4H3,(H,14,16)(H,15,18)
InChIKeyQQUHYDVWIHRQBS-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.36
Rot. Bonds1

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

1,2,2-trimethyl-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 66743321) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 1,2,2-trimethyl-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name1,2,2-trimethyl-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID66743321
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name1,2,2-trimethyl-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1[nH]ncc1-c1cc2c(s1)C(=O)NC(C)(C)N2C
InChIInChI=1S/C13H16N4OS/c1-7-8(6-14-16-7)10-5-9-11(19-10)12(18)15-13(2,3)17(9)4/h5-6H,1-4H3,(H,14,16)(H,15,18)
InChIKeyQQUHYDVWIHRQBS-UHFFFAOYSA-N
XLogP2.36
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 1,2,2-trimethyl-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 66743321) is 1,2,2-trimethyl-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 1,2,2-trimethyl-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 1,2,2-trimethyl-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one is Cc1[nH]ncc1-c1cc2c(s1)C(=O)NC(C)(C)N2C.
What is the InChIKey of 1,2,2-trimethyl-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is QQUHYDVWIHRQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-7-8(6-14-16-7)10-5-9-11(19-10)12(18)15-13(2,3)17(9)4/h5-6H,1-4H3,(H,14,16)(H,15,18).
What are the key properties of 1,2,2-trimethyl-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
1,2,2-trimethyl-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 276.37 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 66743321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).