3-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one

C10H11N3OS — CID 118719987

IUPAC3-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one
SMILESC=CCNc1nc2ccsc2c(=O)n1C
InChIInChI=1S/C10H11N3OS/c1-3-5-11-10-12-7-4-6-15-8(7)9(14)13(10)2/h3-4,6H,1,5H2,2H3,(H,11,12)
InChIKeyAEXJXAXGKOJREA-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.59
Rot. Bonds3

About 3-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one

3-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one (PubChem CID 118719987) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one
PubChem CID118719987
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name3-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one
SMILESC=CCNc1nc2ccsc2c(=O)n1C
InChIInChI=1S/C10H11N3OS/c1-3-5-11-10-12-7-4-6-15-8(7)9(14)13(10)2/h3-4,6H,1,5H2,2H3,(H,11,12)
InChIKeyAEXJXAXGKOJREA-UHFFFAOYSA-N
XLogP1.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135417422
2-(Cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719988
2-(Cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719989
2-(Cyclopentylamino)-3-ethyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 118719994
2-(Cyclopentylamino)-7-ethenyl-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719995
2-Anilino-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118724077
3-Ethyl-2-(2-fluoroanilino)thieno[3,2-d]pyrimidin-4-one
CID 118724083
3-Ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729736
2-(Cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118729740
3-Ethyl-2-(oxan-4-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729741
3-(Methylamino)-3,4-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2806117
3-(dimethylamino)thieno[3,2-d]pyrimidin-4(3H)-one
CID 1478283

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one (CID 118719987) is 3-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one is C=CCNc1nc2ccsc2c(=O)n1C.
What is the InChIKey of 3-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is AEXJXAXGKOJREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-3-5-11-10-12-7-4-6-15-8(7)9(14)13(10)2/h3-4,6H,1,5H2,2H3,(H,11,12).
What are the key properties of 3-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one?
3-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 221.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118719987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).