2-methyl-2-propyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one

C15H17N3OS — CID 66744251

IUPAC2-methyl-2-propyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCCC1(C)NC(=O)c2sc(-c3ccncc3)cc2N1
InChIInChI=1S/C15H17N3OS/c1-3-6-15(2)17-11-9-12(10-4-7-16-8-5-10)20-13(11)14(19)18-15/h4-5,7-9,17H,3,6H2,1-2H3,(H,18,19)
InChIKeyJHZPLXPNLZAPIG-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.48
Rot. Bonds3

About 2-methyl-2-propyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one

2-methyl-2-propyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 66744251) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-methyl-2-propyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-2-propyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID66744251
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-methyl-2-propyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCCC1(C)NC(=O)c2sc(-c3ccncc3)cc2N1
InChIInChI=1S/C15H17N3OS/c1-3-6-15(2)17-11-9-12(10-4-7-16-8-5-10)20-13(11)14(19)18-15/h4-5,7-9,17H,3,6H2,1-2H3,(H,18,19)
InChIKeyJHZPLXPNLZAPIG-UHFFFAOYSA-N
XLogP3.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-2-propyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one (CID 66744251) is 2-methyl-2-propyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-2-propyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-2-propyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one is CCCC1(C)NC(=O)c2sc(-c3ccncc3)cc2N1.
What is the InChIKey of 2-methyl-2-propyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is JHZPLXPNLZAPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-3-6-15(2)17-11-9-12(10-4-7-16-8-5-10)20-13(11)14(19)18-15/h4-5,7-9,17H,3,6H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-2-propyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one?
2-methyl-2-propyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 287.39 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 66744251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).