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

C18H21N3S — CID 91965406

IUPAC2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(Nc2nc(CC)nc3sc(C)c(C)c23)cc1
InChIInChI=1S/C18H21N3S/c1-5-13-7-9-14(10-8-13)19-17-16-11(3)12(4)22-18(16)21-15(6-2)20-17/h7-10H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyKDAQPJQLCKZDFT-UHFFFAOYSA-N
MW311.45 g/mol
LogP5.18
Rot. Bonds4

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

2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91965406) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91965406
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC Name2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(Nc2nc(CC)nc3sc(C)c(C)c23)cc1
InChIInChI=1S/C18H21N3S/c1-5-13-7-9-14(10-8-13)19-17-16-11(3)12(4)22-18(16)21-15(6-2)20-17/h7-10H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyKDAQPJQLCKZDFT-UHFFFAOYSA-N
XLogP5.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.45
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 91965406) is 2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CCc1ccc(Nc2nc(CC)nc3sc(C)c(C)c23)cc1.
What is the InChIKey of 2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KDAQPJQLCKZDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S/c1-5-13-7-9-14(10-8-13)19-17-16-11(3)12(4)22-18(16)21-15(6-2)20-17/h7-10H,5-6H2,1-4H3,(H,19,20,21).
What are the key properties of 2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 311.45 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91965406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).