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

C19H17N3OS2 — CID 118734211

IUPAC6-(2-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc2c(N[C@H](C)c3cccs3)ncnc2s1
InChIInChI=1S/C19H17N3OS2/c1-12(16-8-5-9-24-16)22-18-14-10-17(25-19(14)21-11-20-18)13-6-3-4-7-15(13)23-2/h3-12H,1-2H3,(H,20,21,22)/t12-/m1/s1
InChIKeyYDVIAGSHBLLFHC-GFCCVEGCSA-N
MW367.50 g/mol
LogP5.60
Rot. Bonds5

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

6-(2-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 118734211) has the molecular formula C19H17N3OS2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID118734211
Molecular FormulaC19H17N3OS2
Molecular Weight367.50 g/mol
Exact Mass367.08
IUPAC Name6-(2-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc2c(N[C@H](C)c3cccs3)ncnc2s1
InChIInChI=1S/C19H17N3OS2/c1-12(16-8-5-9-24-16)22-18-14-10-17(25-19(14)21-11-20-18)13-6-3-4-7-15(13)23-2/h3-12H,1-2H3,(H,20,21,22)/t12-/m1/s1
InChIKeyYDVIAGSHBLLFHC-GFCCVEGCSA-N
XLogP5.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.60
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-[(1R)-1-thiophen-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine (CID 118734211) is 6-(2-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine is COc1ccccc1-c1cc2c(N[C@H](C)c3cccs3)ncnc2s1.
What is the InChIKey of 6-(2-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YDVIAGSHBLLFHC-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17N3OS2/c1-12(16-8-5-9-24-16)22-18-14-10-17(25-19(14)21-11-20-18)13-6-3-4-7-15(13)23-2/h3-12H,1-2H3,(H,20,21,22)/t12-/m1/s1.
What are the key properties of 6-(2-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
6-(2-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 367.50 g/mol, XLogP of 5.60, 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-[(1R)-1-thiophen-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118734211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).