N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

C15H19N3O2S — CID 3249198

IUPACN-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCC1CCCCC1NC(=O)COc1ncnc2sccc12
InChIInChI=1S/C15H19N3O2S/c1-10-4-2-3-5-12(10)18-13(19)8-20-14-11-6-7-21-15(11)17-9-16-14/h6-7,9-10,12H,2-5,8H2,1H3,(H,18,19)
InChIKeyAXBQLPDOPHSERH-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.77
Rot. Bonds4

About N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (PubChem CID 3249198) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
PubChem CID3249198
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCC1CCCCC1NC(=O)COc1ncnc2sccc12
InChIInChI=1S/C15H19N3O2S/c1-10-4-2-3-5-12(10)18-13(19)8-20-14-11-6-7-21-15(11)17-9-16-14/h6-7,9-10,12H,2-5,8H2,1H3,(H,18,19)
InChIKeyAXBQLPDOPHSERH-UHFFFAOYSA-N
XLogP2.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide
CID 2693322
2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2573004
1-[(2S)-2-methylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
CID 2705181
(2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 7889406
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 11914450
N-[[(2R)-oxolan-2-yl]methyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2504910
N-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2536928
2-(6-bromoquinazolin-4-yl)oxy-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 55321416
[(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7736007
N-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705201
N-(2-methylcyclohexyl)-2-(2-methylquinazolin-4-yl)oxyacetamide
CID 17411616
N-[(2R)-1-methoxypropan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2474930

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (CID 3249198) is N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is CC1CCCCC1NC(=O)COc1ncnc2sccc12.
What is the InChIKey of N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The InChIKey is AXBQLPDOPHSERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-4-2-3-5-12(10)18-13(19)8-20-14-11-6-7-21-15(11)17-9-16-14/h6-7,9-10,12H,2-5,8H2,1H3,(H,18,19).
What are the key properties of N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide has a molecular weight of 305.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is sourced from PubChem (CID 3249198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).