7-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C20H17FN4OS — CID 137429585

IUPAC7-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(C)Cc1ccc(F)c(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1
InChIInChI=1S/C20H17FN4OS/c1-25(2)10-12-6-7-15(21)13(9-12)14-11-27-18-17(14)23-19(24-20(18)26)16-5-3-4-8-22-16/h3-9,11H,10H2,1-2H3,(H,23,24,26)
InChIKeyRXOPZZLDMNJNEE-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.91
Rot. Bonds4

About 7-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429585) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is 7-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429585
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC Name7-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(C)Cc1ccc(F)c(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1
InChIInChI=1S/C20H17FN4OS/c1-25(2)10-12-6-7-15(21)13(9-12)14-11-27-18-17(14)23-19(24-20(18)26)16-5-3-4-8-22-16/h3-9,11H,10H2,1-2H3,(H,23,24,26)
InChIKeyRXOPZZLDMNJNEE-UHFFFAOYSA-N
XLogP3.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429585) is 7-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is CN(C)Cc1ccc(F)c(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.
What is the InChIKey of 7-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is RXOPZZLDMNJNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c1-25(2)10-12-6-7-15(21)13(9-12)14-11-27-18-17(14)23-19(24-20(18)26)16-5-3-4-8-22-16/h3-9,11H,10H2,1-2H3,(H,23,24,26).
What are the key properties of 7-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 380.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).