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

C15H19N3O2S — CID 9440274

IUPACN-(4-methylcyclohexyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCC1CCC(NC(=O)Cn2cnc3sccc3c2=O)CC1
InChIInChI=1S/C15H19N3O2S/c1-10-2-4-11(5-3-10)17-13(19)8-18-9-16-14-12(15(18)20)6-7-21-14/h6-7,9-11H,2-5,8H2,1H3,(H,17,19)
InChIKeyALMATUADKTXGFQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.15
Rot. Bonds3

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

N-(4-methylcyclohexyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 9440274) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID9440274
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(4-methylcyclohexyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCC1CCC(NC(=O)Cn2cnc3sccc3c2=O)CC1
InChIInChI=1S/C15H19N3O2S/c1-10-2-4-11(5-3-10)17-13(19)8-18-9-16-14-12(15(18)20)6-7-21-14/h6-7,9-11H,2-5,8H2,1H3,(H,17,19)
InChIKeyALMATUADKTXGFQ-UHFFFAOYSA-N
XLogP2.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9267178
N-cyclohexyl-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9372649
N-(2-methylcyclohexyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 16327118
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide
CID 73334465
3-[3-(2-Methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 24640337
3-[3-(2-Ethylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 47017268
N-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-2-carboxamide
CID 51078244
3-(2-Aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 138040267
N-(cyclopentylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594272
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 8852360
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8891032
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-sulfanylethyl)acetamide
CID 177679873

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 9440274) is N-(4-methylcyclohexyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CC1CCC(NC(=O)Cn2cnc3sccc3c2=O)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is ALMATUADKTXGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-2-4-11(5-3-10)17-13(19)8-18-9-16-14-12(15(18)20)6-7-21-14/h6-7,9-11H,2-5,8H2,1H3,(H,17,19).
What are the key properties of N-(4-methylcyclohexyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(4-methylcyclohexyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 305.40 g/mol, XLogP of 2.15, 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-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 9440274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).