3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one

C14H13N3OS — CID 43509260

IUPAC3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1c(N)cccc1Cn1cnc2ccsc2c1=O
InChIInChI=1S/C14H13N3OS/c1-9-10(3-2-4-11(9)15)7-17-8-16-12-5-6-19-13(12)14(17)18/h2-6,8H,7,15H2,1H3
InChIKeyWGGNLIATVXKWOA-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.40
Rot. Bonds2

About 3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one

3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 43509260) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID43509260
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1c(N)cccc1Cn1cnc2ccsc2c1=O
InChIInChI=1S/C14H13N3OS/c1-9-10(3-2-4-11(9)15)7-17-8-16-12-5-6-19-13(12)14(17)18/h2-6,8H,7,15H2,1H3
InChIKeyWGGNLIATVXKWOA-UHFFFAOYSA-N
XLogP2.40
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33278584
3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 51280236
3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 64768870
3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 18123502
3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 47160423
3-[(2-amino-1,3-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 79774558
3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 27065071
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 39013477
3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33279473
3-[(4-iodophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 115650943
3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 116620741
3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 62244842

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 43509260) is 3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one is Cc1c(N)cccc1Cn1cnc2ccsc2c1=O.
What is the InChIKey of 3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is WGGNLIATVXKWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-10(3-2-4-11(9)15)7-17-8-16-12-5-6-19-13(12)14(17)18/h2-6,8H,7,15H2,1H3.
What are the key properties of 3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 271.35 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 43509260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).