6-(2-methoxyphenyl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

C21H19N3OS — CID 118734183

IUPAC6-(2-methoxyphenyl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc2c(NC(C)c3ccccc3)ncnc2s1
InChIInChI=1S/C21H19N3OS/c1-14(15-8-4-3-5-9-15)24-20-17-12-19(26-21(17)23-13-22-20)16-10-6-7-11-18(16)25-2/h3-14H,1-2H3,(H,22,23,24)
InChIKeyGROHRMFBORBVQD-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.54
Rot. Bonds5

About 6-(2-methoxyphenyl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

6-(2-methoxyphenyl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 118734183) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID118734183
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name6-(2-methoxyphenyl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc2c(NC(C)c3ccccc3)ncnc2s1
InChIInChI=1S/C21H19N3OS/c1-14(15-8-4-3-5-9-15)24-20-17-12-19(26-21(17)23-13-22-20)16-10-6-7-11-18(16)25-2/h3-14H,1-2H3,(H,22,23,24)
InChIKeyGROHRMFBORBVQD-UHFFFAOYSA-N
XLogP5.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyphenyl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 118734183) is 6-(2-methoxyphenyl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is COc1ccccc1-c1cc2c(NC(C)c3ccccc3)ncnc2s1.
What is the InChIKey of 6-(2-methoxyphenyl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GROHRMFBORBVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-14(15-8-4-3-5-9-15)24-20-17-12-19(26-21(17)23-13-22-20)16-10-6-7-11-18(16)25-2/h3-14H,1-2H3,(H,22,23,24).
What are the key properties of 6-(2-methoxyphenyl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
6-(2-methoxyphenyl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 361.47 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118734183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).