1,2,2-trimethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one

C14H15N3OS — CID 66743809

IUPAC1,2,2-trimethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN1c2cc(-c3ccncc3)sc2C(=O)NC1(C)C
InChIInChI=1S/C14H15N3OS/c1-14(2)16-13(18)12-10(17(14)3)8-11(19-12)9-4-6-15-7-5-9/h4-8H,1-3H3,(H,16,18)
InChIKeyIGGVZMGXHOUJJL-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.73
Rot. Bonds1

About 1,2,2-trimethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one

1,2,2-trimethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 66743809) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1,2,2-trimethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name1,2,2-trimethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID66743809
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1,2,2-trimethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN1c2cc(-c3ccncc3)sc2C(=O)NC1(C)C
InChIInChI=1S/C14H15N3OS/c1-14(2)16-13(18)12-10(17(14)3)8-11(19-12)9-4-6-15-7-5-9/h4-8H,1-3H3,(H,16,18)
InChIKeyIGGVZMGXHOUJJL-UHFFFAOYSA-N
XLogP2.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 1,2,2-trimethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 66743809) is 1,2,2-trimethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 1,2,2-trimethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 1,2,2-trimethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one is CN1c2cc(-c3ccncc3)sc2C(=O)NC1(C)C.
What is the InChIKey of 1,2,2-trimethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is IGGVZMGXHOUJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-14(2)16-13(18)12-10(17(14)3)8-11(19-12)9-4-6-15-7-5-9/h4-8H,1-3H3,(H,16,18).
What are the key properties of 1,2,2-trimethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
1,2,2-trimethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 273.36 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 66743809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).