N-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C17H25N3S — CID 65404241

IUPACN-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(C2CCC(CC)C2)nc2sc(C)c(C)c12
InChIInChI=1S/C17H25N3S/c1-5-12-7-8-13(9-12)15-19-16(18-6-2)14-10(3)11(4)21-17(14)20-15/h12-13H,5-9H2,1-4H3,(H,18,19,20)
InChIKeyIEIZVDNUMCFCQA-UHFFFAOYSA-N
MW303.48 g/mol
LogP5.03
Rot. Bonds4

About N-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 65404241) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is N-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID65404241
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC NameN-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(C2CCC(CC)C2)nc2sc(C)c(C)c12
InChIInChI=1S/C17H25N3S/c1-5-12-7-8-13(9-12)15-19-16(18-6-2)14-10(3)11(4)21-17(14)20-15/h12-13H,5-9H2,1-4H3,(H,18,19,20)
InChIKeyIEIZVDNUMCFCQA-UHFFFAOYSA-N
XLogP5.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-ethyl-5,6-dimethyl-2-(thiolan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 80638956
N-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66305718
6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine
CID 66300395
2-(3-ethylcyclopentyl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 65405403
2-cyclooctyl-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 80611910
[2-(3-ethylcyclopentyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 65406007
2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 65391851
N-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103987762
(2-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 62250283
(2-cycloheptyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 65399665
2-(3-ethylcyclohexyl)-N,5,6-trimethylpyrimidin-4-amine
CID 65413620
2-cyclopropyl-4-(4-ethylsulfonylpiperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 1466637

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 65404241) is N-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CCNc1nc(C2CCC(CC)C2)nc2sc(C)c(C)c12.
What is the InChIKey of N-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IEIZVDNUMCFCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-5-12-7-8-13(9-12)15-19-16(18-6-2)14-10(3)11(4)21-17(14)20-15/h12-13H,5-9H2,1-4H3,(H,18,19,20).
What are the key properties of N-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.48 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 65404241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).