2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

C15H21N3S — CID 65391653

IUPAC2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCC(C)(C)CC2)nc2sccc12
InChIInChI=1S/C15H21N3S/c1-15(2)7-4-10(5-8-15)12-17-13(16-3)11-6-9-19-14(11)18-12/h6,9-10H,4-5,7-8H2,1-3H3,(H,16,17,18)
InChIKeyFOABPURXTFUOQW-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.42
Rot. Bonds2

About 2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 65391653) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID65391653
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCC(C)(C)CC2)nc2sccc12
InChIInChI=1S/C15H21N3S/c1-15(2)7-4-10(5-8-15)12-17-13(16-3)11-6-9-19-14(11)18-12/h6,9-10H,4-5,7-8H2,1-3H3,(H,16,17,18)
InChIKeyFOABPURXTFUOQW-UHFFFAOYSA-N
XLogP4.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 55044530
2-cyclopropyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62188847
2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 65392053
2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 65391851
2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 80611795
2-(3-ethyl-1,4-dithian-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 115388443
2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 80610788
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 64985882
N-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 79968552
4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330666
[2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62252332
4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328211

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 65391653) is 2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(C2CCC(C)(C)CC2)nc2sccc12.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FOABPURXTFUOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-15(2)7-4-10(5-8-15)12-17-13(16-3)11-6-9-19-14(11)18-12/h6,9-10H,4-5,7-8H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 275.42 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 65391653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).