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

C18H15N3OS2 — CID 118734210

IUPAC6-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc2c(NCc3cccs3)ncnc2s1
InChIInChI=1S/C18H15N3OS2/c1-22-15-7-3-2-6-13(15)16-9-14-17(20-11-21-18(14)24-16)19-10-12-5-4-8-23-12/h2-9,11H,10H2,1H3,(H,19,20,21)
InChIKeyQPHDGMSNEOJVKJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.04
Rot. Bonds5

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

6-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 118734210) has the molecular formula C18H15N3OS2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID118734210
Molecular FormulaC18H15N3OS2
Molecular Weight353.47 g/mol
Exact Mass353.07
IUPAC Name6-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc2c(NCc3cccs3)ncnc2s1
InChIInChI=1S/C18H15N3OS2/c1-22-15-7-3-2-6-13(15)16-9-14-17(20-11-21-18(14)24-16)19-10-12-5-4-8-23-12/h2-9,11H,10H2,1H3,(H,19,20,21)
InChIKeyQPHDGMSNEOJVKJ-UHFFFAOYSA-N
XLogP5.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.04
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-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 118734210) is 6-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is COc1ccccc1-c1cc2c(NCc3cccs3)ncnc2s1.
What is the InChIKey of 6-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QPHDGMSNEOJVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS2/c1-22-15-7-3-2-6-13(15)16-9-14-17(20-11-21-18(14)24-16)19-10-12-5-4-8-23-12/h2-9,11H,10H2,1H3,(H,19,20,21).
What are the key properties of 6-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
6-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 5.04, 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-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118734210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).