6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

C10H10N2OS — CID 144895692

IUPAC6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
SMILESC=CCn1cnc2sc(C)cc2c1=O
InChIInChI=1S/C10H10N2OS/c1-3-4-12-6-11-9-8(10(12)13)5-7(2)14-9/h3,5-6H,1,4H2,2H3
InChIKeyIJYQFTMAIIZCIP-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.95
Rot. Bonds2

About 6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one (PubChem CID 144895692) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
PubChem CID144895692
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
SMILESC=CCn1cnc2sc(C)cc2c1=O
InChIInChI=1S/C10H10N2OS/c1-3-4-12-6-11-9-8(10(12)13)5-7(2)14-9/h3,5-6H,1,4H2,2H3
InChIKeyIJYQFTMAIIZCIP-UHFFFAOYSA-N
XLogP1.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
CID 118280400
3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one
CID 118286876
3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one
CID 39760848
3-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 166301450
6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 84592320
6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 82147197
3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 39826511
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23963812
3-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 39164887
2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 39164915
3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 92715237
3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 92715236

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one (CID 144895692) is 6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one is C=CCn1cnc2sc(C)cc2c1=O.
What is the InChIKey of 6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is IJYQFTMAIIZCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-3-4-12-6-11-9-8(10(12)13)5-7(2)14-9/h3,5-6H,1,4H2,2H3.
What are the key properties of 6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 206.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 144895692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).