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

C14H15N3OS — CID 3559992

IUPAC6-propan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1cc2c(s1)NC(c1ccccn1)NC2=O
InChIInChI=1S/C14H15N3OS/c1-8(2)11-7-9-13(18)16-12(17-14(9)19-11)10-5-3-4-6-15-10/h3-8,12,17H,1-2H3,(H,16,18)
InChIKeyBCFKYKNSZVUHJH-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.12
Rot. Bonds2

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

6-propan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 3559992) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 6-propan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-propan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
PubChem CID3559992
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name6-propan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1cc2c(s1)NC(c1ccccn1)NC2=O
InChIInChI=1S/C14H15N3OS/c1-8(2)11-7-9-13(18)16-12(17-14(9)19-11)10-5-3-4-6-15-10/h3-8,12,17H,1-2H3,(H,16,18)
InChIKeyBCFKYKNSZVUHJH-UHFFFAOYSA-N
XLogP3.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-propan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (CID 3559992) is 6-propan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-propan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-propan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is CC(C)c1cc2c(s1)NC(c1ccccn1)NC2=O.
What is the InChIKey of 6-propan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is BCFKYKNSZVUHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-8(2)11-7-9-13(18)16-12(17-14(9)19-11)10-5-3-4-6-15-10/h3-8,12,17H,1-2H3,(H,16,18).
What are the key properties of 6-propan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
6-propan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 273.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 3559992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).