2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine

C16H25N3OS — CID 116728558

IUPAC2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(C(OCC)C(C)(C)C)nc2sc(C)cc12
InChIInChI=1S/C16H25N3OS/c1-7-17-13-11-9-10(3)21-15(11)19-14(18-13)12(20-8-2)16(4,5)6/h9,12H,7-8H2,1-6H3,(H,17,18,19)
InChIKeyKPGVZGVLLIDINI-UHFFFAOYSA-N
MW307.46 g/mol
LogP4.56
Rot. Bonds5

About 2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine

2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 116728558) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID116728558
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(C(OCC)C(C)(C)C)nc2sc(C)cc12
InChIInChI=1S/C16H25N3OS/c1-7-17-13-11-9-10(3)21-15(11)19-14(18-13)12(20-8-2)16(4,5)6/h9,12H,7-8H2,1-6H3,(H,17,18,19)
InChIKeyKPGVZGVLLIDINI-UHFFFAOYSA-N
XLogP4.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 116728558) is 2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine is CCNc1nc(C(OCC)C(C)(C)C)nc2sc(C)cc12.
What is the InChIKey of 2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KPGVZGVLLIDINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-7-17-13-11-9-10(3)21-15(11)19-14(18-13)12(20-8-2)16(4,5)6/h9,12H,7-8H2,1-6H3,(H,17,18,19).
What are the key properties of 2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 307.46 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 116728558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).