6-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C19H16N4OS — CID 118734190

IUPAC6-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc2c(NCc3ccccn3)ncnc2s1
InChIInChI=1S/C19H16N4OS/c1-24-16-8-3-2-7-14(16)17-10-15-18(22-12-23-19(15)25-17)21-11-13-6-4-5-9-20-13/h2-10,12H,11H2,1H3,(H,21,22,23)
InChIKeyKXVKQFSFLGKPSC-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.37
Rot. Bonds5

About 6-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

6-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 118734190) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID118734190
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name6-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc2c(NCc3ccccn3)ncnc2s1
InChIInChI=1S/C19H16N4OS/c1-24-16-8-3-2-7-14(16)17-10-15-18(22-12-23-19(15)25-17)21-11-13-6-4-5-9-20-13/h2-10,12H,11H2,1H3,(H,21,22,23)
InChIKeyKXVKQFSFLGKPSC-UHFFFAOYSA-N
XLogP4.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 118734190) is 6-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is COc1ccccc1-c1cc2c(NCc3ccccn3)ncnc2s1.
What is the InChIKey of 6-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KXVKQFSFLGKPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-24-16-8-3-2-7-14(16)17-10-15-18(22-12-23-19(15)25-17)21-11-13-6-4-5-9-20-13/h2-10,12H,11H2,1H3,(H,21,22,23).
What are the key properties of 6-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
6-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 348.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118734190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).