N-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide

C13H15N3O2S — CID 102685631

IUPACN-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCc1csc2c(=O)n(CC(=O)N(C)C3CC3)cnc12
InChIInChI=1S/C13H15N3O2S/c1-8-6-19-12-11(8)14-7-16(13(12)18)5-10(17)15(2)9-3-4-9/h6-7,9H,3-5H2,1-2H3
InChIKeyCMTPISDWGFFAFB-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.39
Rot. Bonds3

About N-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide

N-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 102685631) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID102685631
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCc1csc2c(=O)n(CC(=O)N(C)C3CC3)cnc12
InChIInChI=1S/C13H15N3O2S/c1-8-6-19-12-11(8)14-7-16(13(12)18)5-10(17)15(2)9-3-4-9/h6-7,9H,3-5H2,1-2H3
InChIKeyCMTPISDWGFFAFB-UHFFFAOYSA-N
XLogP1.39
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one
CID 102685394
N-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 146130124
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 99844064
3-[2-(4-bromophenyl)-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685418
7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one
CID 102685683
2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 102685784
3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid
CID 102685307
3-(4-chlorobutyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685321
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
N-cyclopropyl-N-methyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetamide
CID 47499287
3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685714
3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39796651

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide (CID 102685631) is N-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide is Cc1csc2c(=O)n(CC(=O)N(C)C3CC3)cnc12.
What is the InChIKey of N-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is CMTPISDWGFFAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-6-19-12-11(8)14-7-16(13(12)18)5-10(17)15(2)9-3-4-9/h6-7,9H,3-5H2,1-2H3.
What are the key properties of N-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
N-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 277.35 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 102685631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).