7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one

C14H16N4OS — CID 102685676

IUPAC7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCCn1cncc1Cn1cnc2c(C)csc2c1=O
InChIInChI=1S/C14H16N4OS/c1-3-4-17-8-15-5-11(17)6-18-9-16-12-10(2)7-20-13(12)14(18)19/h5,7-9H,3-4,6H2,1-2H3
InChIKeyYJTXBKRHMMWMIR-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.42
Rot. Bonds4

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

7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 102685676) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID102685676
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCCn1cncc1Cn1cnc2c(C)csc2c1=O
InChIInChI=1S/C14H16N4OS/c1-3-4-17-8-15-5-11(17)6-18-9-16-12-10(2)7-20-13(12)14(18)19/h5,7-9H,3-4,6H2,1-2H3
InChIKeyYJTXBKRHMMWMIR-UHFFFAOYSA-N
XLogP2.42
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685714
3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685812
3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 103054670
3-(4-chlorobutyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685321
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685617
3-[(5-chlorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39804649
3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685639
7-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685782
7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685622
7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one
CID 102685683
7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 146130098

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 102685676) is 7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one is CCCn1cncc1Cn1cnc2c(C)csc2c1=O.
What is the InChIKey of 7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is YJTXBKRHMMWMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-3-4-17-8-15-5-11(17)6-18-9-16-12-10(2)7-20-13(12)14(18)19/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 288.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102685676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).