N-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine

C15H21N3OS — CID 82760786

IUPACN-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCCC1(CC)CC(Nc2ncnc3ccsc23)CCO1
InChIInChI=1S/C15H21N3OS/c1-3-15(4-2)9-11(5-7-19-15)18-14-13-12(6-8-20-13)16-10-17-14/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,16,17,18)
InChIKeyVRLPWGGFLHFJCX-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.84
Rot. Bonds4

About N-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine

N-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 82760786) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID82760786
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCCC1(CC)CC(Nc2ncnc3ccsc23)CCO1
InChIInChI=1S/C15H21N3OS/c1-3-15(4-2)9-11(5-7-19-15)18-14-13-12(6-8-20-13)16-10-17-14/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,16,17,18)
InChIKeyVRLPWGGFLHFJCX-UHFFFAOYSA-N
XLogP3.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine (CID 82760786) is N-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine is CCC1(CC)CC(Nc2ncnc3ccsc23)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is VRLPWGGFLHFJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-15(4-2)9-11(5-7-19-15)18-14-13-12(6-8-20-13)16-10-17-14/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,16,17,18).
What are the key properties of N-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine?
N-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 291.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 82760786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).