2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide

C22H20N4O2S — CID 133278882

IUPAC2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide
SMILESCOCc1nc(NC(C(N)=O)c2ccccc2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C22H20N4O2S/c1-28-12-17-24-21(26-19(20(23)27)15-10-6-3-7-11-15)18-16(13-29-22(18)25-17)14-8-4-2-5-9-14/h2-11,13,19H,12H2,1H3,(H2,23,27)(H,24,25,26)
InChIKeyOKXPTTITXBGSOJ-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.14
Rot. Bonds7

About 2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide

2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide (PubChem CID 133278882) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide
PubChem CID133278882
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide
SMILESCOCc1nc(NC(C(N)=O)c2ccccc2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C22H20N4O2S/c1-28-12-17-24-21(26-19(20(23)27)15-10-6-3-7-11-15)18-16(13-29-22(18)25-17)14-8-4-2-5-9-14/h2-11,13,19H,12H2,1H3,(H2,23,27)(H,24,25,26)
InChIKeyOKXPTTITXBGSOJ-UHFFFAOYSA-N
XLogP4.14
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide?
The IUPAC name of 2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide (CID 133278882) is 2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide.
What is the SMILES notation for 2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide?
The canonical SMILES for 2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide is COCc1nc(NC(C(N)=O)c2ccccc2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide?
The InChIKey is OKXPTTITXBGSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-28-12-17-24-21(26-19(20(23)27)15-10-6-3-7-11-15)18-16(13-29-22(18)25-17)14-8-4-2-5-9-14/h2-11,13,19H,12H2,1H3,(H2,23,27)(H,24,25,26).
What are the key properties of 2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide?
2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide has a molecular weight of 404.50 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide is sourced from PubChem (CID 133278882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).