7-methyl-2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one

C16H16N2O2S — CID 135433867

IUPAC7-methyl-2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCCOc1ccccc1-c1nc2c(C)csc2c(=O)[nH]1
InChIInChI=1S/C16H16N2O2S/c1-3-8-20-12-7-5-4-6-11(12)15-17-13-10(2)9-21-14(13)16(19)18-15/h4-7,9H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyHGFSMFHLDNRFTM-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.75
Rot. Bonds4

About 7-methyl-2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one

7-methyl-2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135433867) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 7-methyl-2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135433867
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name7-methyl-2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCCOc1ccccc1-c1nc2c(C)csc2c(=O)[nH]1
InChIInChI=1S/C16H16N2O2S/c1-3-8-20-12-7-5-4-6-11(12)15-17-13-10(2)9-21-14(13)16(19)18-15/h4-7,9H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyHGFSMFHLDNRFTM-UHFFFAOYSA-N
XLogP3.75
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Propoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 10636956
5-Methyl-2-(2-propoxy-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 10828080
2-(2-Propoxy-phenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135513834
2-(4-ethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CID 956262
2-(4-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 1116711
(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N-[(2-methoxyphenyl)methyl]carbamodithioate
CID 145955620
2-(4-butoxyphenyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 44388891
2-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136132244
8H-(1,3,4)Thiadiazolo(3,2-a)thieno(2,3-d)pyrimidin-8-one, 2-(2-ethoxyphenyl)-6,7-dimethyl-
CID 24846647
12-[(4-Ethoxyphenyl)methyl]-4-thia-1,8,12-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-2-one
CID 92430734
12-[(2-Ethoxyphenyl)methyl]-4-thia-1,8,12-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-2-one
CID 92587637
N-methyl-2-(2-methylphenoxy)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
CID 135857903

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 135433867) is 7-methyl-2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one is CCCOc1ccccc1-c1nc2c(C)csc2c(=O)[nH]1.
What is the InChIKey of 7-methyl-2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is HGFSMFHLDNRFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-8-20-12-7-5-4-6-11(12)15-17-13-10(2)9-21-14(13)16(19)18-15/h4-7,9H,3,8H2,1-2H3,(H,17,18,19).
What are the key properties of 7-methyl-2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
7-methyl-2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 300.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135433867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).