2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine

C13H17N3S — CID 55044530

IUPAC2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCCC2)nc2sccc12
InChIInChI=1S/C13H17N3S/c1-14-12-10-7-8-17-13(10)16-11(15-12)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,14,15,16)
InChIKeyGTFIBGOLYCWCJO-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.78
Rot. Bonds2

About 2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine

2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 55044530) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID55044530
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCCC2)nc2sccc12
InChIInChI=1S/C13H17N3S/c1-14-12-10-7-8-17-13(10)16-11(15-12)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,14,15,16)
InChIKeyGTFIBGOLYCWCJO-UHFFFAOYSA-N
XLogP3.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 65391653
2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 80611795
2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 80610788
2-cyclopropyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62188847
2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62189947
[2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62252332
2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62194547
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 64985882
2-(3-ethyl-1,4-dithian-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 115388443
N-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 79968552
2-cyclooctyl-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 80611910
N-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 2239015

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 55044530) is 2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(C2CCCCC2)nc2sccc12.
What is the InChIKey of 2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GTFIBGOLYCWCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-14-12-10-7-8-17-13(10)16-11(15-12)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 247.37 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 55044530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).