3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one

C14H20N2OS — CID 102685714

IUPAC3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCCCCCCCn1cnc2c(C)csc2c1=O
InChIInChI=1S/C14H20N2OS/c1-3-4-5-6-7-8-16-10-15-12-11(2)9-18-13(12)14(16)17/h9-10H,3-8H2,1-2H3
InChIKeyARFINHXRAGDSPR-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.74
Rot. Bonds6

About 3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one

3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 102685714) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID102685714
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCCCCCCCn1cnc2c(C)csc2c1=O
InChIInChI=1S/C14H20N2OS/c1-3-4-5-6-7-8-16-10-15-12-11(2)9-18-13(12)14(16)17/h9-10H,3-8H2,1-2H3
InChIKeyARFINHXRAGDSPR-UHFFFAOYSA-N
XLogP3.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorobutyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685321
7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one
CID 102685683
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39834339
7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 102685676
7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one
CID 102685394
3-hexylthieno[3,2-d]pyrimidin-4-one
CID 115582354
3-nonylthieno[3,2-d]pyrimidin-4-one
CID 115582352
3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685812
3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685617
3-[2-(4-fluoroanilino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685564
7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685622

Frequently Asked Questions

What is the IUPAC name of 3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one (CID 102685714) is 3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one is CCCCCCCn1cnc2c(C)csc2c1=O.
What is the InChIKey of 3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is ARFINHXRAGDSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-4-5-6-7-8-16-10-15-12-11(2)9-18-13(12)14(16)17/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one?
3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 264.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102685714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).