N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

C15H19N3O2S — CID 2161132

IUPACN-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCN(C(=O)COc1ncnc2sccc12)C1CCCCC1
InChIInChI=1S/C15H19N3O2S/c1-18(11-5-3-2-4-6-11)13(19)9-20-14-12-7-8-21-15(12)17-10-16-14/h7-8,10-11H,2-6,9H2,1H3
InChIKeyBXHCYRCPBCIUKU-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.86
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (PubChem CID 2161132) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
PubChem CID2161132
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCN(C(=O)COc1ncnc2sccc12)C1CCCCC1
InChIInChI=1S/C15H19N3O2S/c1-18(11-5-3-2-4-6-11)13(19)9-20-14-12-7-8-21-15(12)17-10-16-14/h7-8,10-11H,2-6,9H2,1H3
InChIKeyBXHCYRCPBCIUKU-UHFFFAOYSA-N
XLogP2.86
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (CID 2161132) is N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is CN(C(=O)COc1ncnc2sccc12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The InChIKey is BXHCYRCPBCIUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-18(11-5-3-2-4-6-11)13(19)9-20-14-12-7-8-21-15(12)17-10-16-14/h7-8,10-11H,2-6,9H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide has a molecular weight of 305.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is sourced from PubChem (CID 2161132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).