N-(4-ethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidin-4-amine

C15H21N3S — CID 59232479

IUPACN-(4-ethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCC1CCC(Nc2ncnc3scc(C)c23)CC1
InChIInChI=1S/C15H21N3S/c1-3-11-4-6-12(7-5-11)18-14-13-10(2)8-19-15(13)17-9-16-14/h8-9,11-12H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyQEEKIRFYHXTBMG-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.38
Rot. Bonds3

About N-(4-ethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidin-4-amine

N-(4-ethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 59232479) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID59232479
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-(4-ethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCC1CCC(Nc2ncnc3scc(C)c23)CC1
InChIInChI=1S/C15H21N3S/c1-3-11-4-6-12(7-5-11)18-14-13-10(2)8-19-15(13)17-9-16-14/h8-9,11-12H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyQEEKIRFYHXTBMG-UHFFFAOYSA-N
XLogP4.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-ethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-ethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidin-4-amine (CID 59232479) is N-(4-ethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-ethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-ethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidin-4-amine is CCC1CCC(Nc2ncnc3scc(C)c23)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QEEKIRFYHXTBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-11-4-6-12(7-5-11)18-14-13-10(2)8-19-15(13)17-9-16-14/h8-9,11-12H,3-7H2,1-2H3,(H,16,17,18).
What are the key properties of N-(4-ethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
N-(4-ethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 275.42 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59232479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).