6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide

C19H21N3O2S — CID 53197420

IUPAC6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1ccc(CNC(=O)c2c(C)sc3c(=O)n(C(C)C)cnc23)cc1
InChIInChI=1S/C19H21N3O2S/c1-11(2)22-10-21-16-15(13(4)25-17(16)19(22)24)18(23)20-9-14-7-5-12(3)6-8-14/h5-8,10-11H,9H2,1-4H3,(H,20,23)
InChIKeyLJAYBSWZUMGGDO-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.59
Rot. Bonds4

About 6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide

6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 53197420) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID53197420
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1ccc(CNC(=O)c2c(C)sc3c(=O)n(C(C)C)cnc23)cc1
InChIInChI=1S/C19H21N3O2S/c1-11(2)22-10-21-16-15(13(4)25-17(16)19(22)24)18(23)20-9-14-7-5-12(3)6-8-14/h5-8,10-11H,9H2,1-4H3,(H,20,23)
InChIKeyLJAYBSWZUMGGDO-UHFFFAOYSA-N
XLogP3.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide (CID 53197420) is 6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide is Cc1ccc(CNC(=O)c2c(C)sc3c(=O)n(C(C)C)cnc23)cc1.
What is the InChIKey of 6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is LJAYBSWZUMGGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-11(2)22-10-21-16-15(13(4)25-17(16)19(22)24)18(23)20-9-14-7-5-12(3)6-8-14/h5-8,10-11H,9H2,1-4H3,(H,20,23).
What are the key properties of 6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 53197420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).