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

C16H21N3O2S — CID 146130124

IUPACN-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCc1csc2c(=O)n(CC(=O)NC3CCC(C)CC3)cnc12
InChIInChI=1S/C16H21N3O2S/c1-10-3-5-12(6-4-10)18-13(20)7-19-9-17-14-11(2)8-22-15(14)16(19)21/h8-10,12H,3-7H2,1-2H3,(H,18,20)
InChIKeyMNQXGXXASMWCGE-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.46
Rot. Bonds3

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

N-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 146130124) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID146130124
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCc1csc2c(=O)n(CC(=O)NC3CCC(C)CC3)cnc12
InChIInChI=1S/C16H21N3O2S/c1-10-3-5-12(6-4-10)18-13(20)7-19-9-17-14-11(2)8-22-15(14)16(19)21/h8-10,12H,3-7H2,1-2H3,(H,18,20)
InChIKeyMNQXGXXASMWCGE-UHFFFAOYSA-N
XLogP2.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide (CID 146130124) is N-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide is Cc1csc2c(=O)n(CC(=O)NC3CCC(C)CC3)cnc12.
What is the InChIKey of N-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is MNQXGXXASMWCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-10-3-5-12(6-4-10)18-13(20)7-19-9-17-14-11(2)8-22-15(14)16(19)21/h8-10,12H,3-7H2,1-2H3,(H,18,20).
What are the key properties of N-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
N-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 146130124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).