2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C15H25N3OS — CID 116730068

IUPAC2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(C(OCC)C(C)(C)C)nc2c1CSC2
InChIInChI=1S/C15H25N3OS/c1-6-16-13-10-8-20-9-11(10)17-14(18-13)12(19-7-2)15(3,4)5/h12H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyDSVMKRJFZCXJPV-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.78
Rot. Bonds5

About 2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 116730068) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID116730068
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(C(OCC)C(C)(C)C)nc2c1CSC2
InChIInChI=1S/C15H25N3OS/c1-6-16-13-10-8-20-9-11(10)17-14(18-13)12(19-7-2)15(3,4)5/h12H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyDSVMKRJFZCXJPV-UHFFFAOYSA-N
XLogP3.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116633288
2-(1-ethoxy-2,2-dimethylpropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136983284
[2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 116730417
2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 116728558
2-(4-ethoxyoxan-4-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116777361
4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 116706710
3-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-1,2,4-thiadiazol-5-amine
CID 116734310
N-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190672
N-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 113373130
2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191211
2-(2-cyclopropylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193524
(2-propan-2-yl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)hydrazine
CID 83200451

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 116730068) is 2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCNc1nc(C(OCC)C(C)(C)C)nc2c1CSC2.
What is the InChIKey of 2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is DSVMKRJFZCXJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-6-16-13-10-8-20-9-11(10)17-14(18-13)12(19-7-2)15(3,4)5/h12H,6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 295.45 g/mol, XLogP of 3.78, 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-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 116730068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).