2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C17H19N3O3S2 — CID 133279130

IUPAC2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(NCCS(C)(=O)=O)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C17H19N3O3S2/c1-23-10-14-19-16(18-8-9-25(2,21)22)15-13(11-24-17(15)20-14)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,18,19,20)
InChIKeyHSFCHACLBKBCLM-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.96
Rot. Bonds7

About 2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133279130) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133279130
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(NCCS(C)(=O)=O)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C17H19N3O3S2/c1-23-10-14-19-16(18-8-9-25(2,21)22)15-13(11-24-17(15)20-14)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,18,19,20)
InChIKeyHSFCHACLBKBCLM-UHFFFAOYSA-N
XLogP2.96
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 133279130) is 2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is COCc1nc(NCCS(C)(=O)=O)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HSFCHACLBKBCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-23-10-14-19-16(18-8-9-25(2,21)22)15-13(11-24-17(15)20-14)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 377.49 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133279130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).