2-(methoxymethyl)-N-methyl-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C21H20N4OS — CID 133278760

IUPAC2-(methoxymethyl)-N-methyl-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(N(C)Cc2cccnc2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H20N4OS/c1-25(12-15-7-6-10-22-11-15)20-19-17(16-8-4-3-5-9-16)14-27-21(19)24-18(23-20)13-26-2/h3-11,14H,12-13H2,1-2H3
InChIKeyYMCJAXUMZICWLS-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.54
Rot. Bonds6

About 2-(methoxymethyl)-N-methyl-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-(methoxymethyl)-N-methyl-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133278760) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-methyl-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N-methyl-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID133278760
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name2-(methoxymethyl)-N-methyl-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(N(C)Cc2cccnc2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H20N4OS/c1-25(12-15-7-6-10-22-11-15)20-19-17(16-8-4-3-5-9-16)14-27-21(19)24-18(23-20)13-26-2/h3-11,14H,12-13H2,1-2H3
InChIKeyYMCJAXUMZICWLS-UHFFFAOYSA-N
XLogP4.54
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-methyl-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-N-methyl-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 133278760) is 2-(methoxymethyl)-N-methyl-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-N-methyl-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-N-methyl-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is COCc1nc(N(C)Cc2cccnc2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-(methoxymethyl)-N-methyl-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YMCJAXUMZICWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-25(12-15-7-6-10-22-11-15)20-19-17(16-8-4-3-5-9-16)14-27-21(19)24-18(23-20)13-26-2/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-N-methyl-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(methoxymethyl)-N-methyl-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 376.49 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-methyl-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133278760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).