2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

C20H23N3O2S — CID 133278958

IUPAC2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(NC(C)C2CCCO2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H23N3O2S/c1-13(16-9-6-10-25-16)21-19-18-15(14-7-4-3-5-8-14)12-26-20(18)23-17(22-19)11-24-2/h3-5,7-8,12-13,16H,6,9-11H2,1-2H3,(H,21,22,23)
InChIKeyYOZRLDCHXUUCFE-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.48
Rot. Bonds6

About 2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133278958) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133278958
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(NC(C)C2CCCO2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H23N3O2S/c1-13(16-9-6-10-25-16)21-19-18-15(14-7-4-3-5-8-14)12-26-20(18)23-17(22-19)11-24-2/h3-5,7-8,12-13,16H,6,9-11H2,1-2H3,(H,21,22,23)
InChIKeyYOZRLDCHXUUCFE-UHFFFAOYSA-N
XLogP4.48
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 133278958) is 2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is COCc1nc(NC(C)C2CCCO2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YOZRLDCHXUUCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13(16-9-6-10-25-16)21-19-18-15(14-7-4-3-5-8-14)12-26-20(18)23-17(22-19)11-24-2/h3-5,7-8,12-13,16H,6,9-11H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 369.49 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133278958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).