7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C19H14FN3O2S — CID 137429357

IUPAC7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOCc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1F
InChIInChI=1S/C19H14FN3O2S/c1-25-9-12-6-5-11(8-14(12)20)13-10-26-17-16(13)22-18(23-19(17)24)15-4-2-3-7-21-15/h2-8,10H,9H2,1H3,(H,22,23,24)
InChIKeyIWVXUIOTLDEMFH-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.00
Rot. Bonds4

About 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429357) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429357
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC Name7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOCc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1F
InChIInChI=1S/C19H14FN3O2S/c1-25-9-12-6-5-11(8-14(12)20)13-10-26-17-16(13)22-18(23-19(17)24)15-4-2-3-7-21-15/h2-8,10H,9H2,1H3,(H,22,23,24)
InChIKeyIWVXUIOTLDEMFH-UHFFFAOYSA-N
XLogP4.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429357) is 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is COCc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1F.
What is the InChIKey of 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is IWVXUIOTLDEMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c1-25-9-12-6-5-11(8-14(12)20)13-10-26-17-16(13)22-18(23-19(17)24)15-4-2-3-7-21-15/h2-8,10H,9H2,1H3,(H,22,23,24).
What are the key properties of 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 367.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).