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

C16H19N3OS — CID 66743393

IUPAC1,2-diethyl-2-methyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCN1c2cc(-c3ccncc3)sc2C(=O)NC1(C)CC
InChIInChI=1S/C16H19N3OS/c1-4-16(3)18-15(20)14-12(19(16)5-2)10-13(21-14)11-6-8-17-9-7-11/h6-10H,4-5H2,1-3H3,(H,18,20)
InChIKeyPANVQNULHCLQPV-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.51
Rot. Bonds3

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

1,2-diethyl-2-methyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 66743393) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 1,2-diethyl-2-methyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name1,2-diethyl-2-methyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID66743393
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name1,2-diethyl-2-methyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCN1c2cc(-c3ccncc3)sc2C(=O)NC1(C)CC
InChIInChI=1S/C16H19N3OS/c1-4-16(3)18-15(20)14-12(19(16)5-2)10-13(21-14)11-6-8-17-9-7-11/h6-10H,4-5H2,1-3H3,(H,18,20)
InChIKeyPANVQNULHCLQPV-UHFFFAOYSA-N
XLogP3.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-2-methyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 1,2-diethyl-2-methyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 66743393) is 1,2-diethyl-2-methyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 1,2-diethyl-2-methyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 1,2-diethyl-2-methyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one is CCN1c2cc(-c3ccncc3)sc2C(=O)NC1(C)CC.
What is the InChIKey of 1,2-diethyl-2-methyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is PANVQNULHCLQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-4-16(3)18-15(20)14-12(19(16)5-2)10-13(21-14)11-6-8-17-9-7-11/h6-10H,4-5H2,1-3H3,(H,18,20).
What are the key properties of 1,2-diethyl-2-methyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
1,2-diethyl-2-methyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 301.41 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-2-methyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 66743393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).