3-[(1R)-2-amino-1-phenylethyl]-7-(2-chlorophenyl)thieno[3,2-d]pyrimidin-4-one

C20H16ClN3OS — CID 155533298

IUPAC3-[(1R)-2-amino-1-phenylethyl]-7-(2-chlorophenyl)thieno[3,2-d]pyrimidin-4-one
SMILESNC[C@@H](c1ccccc1)n1cnc2c(-c3ccccc3Cl)csc2c1=O
InChIInChI=1S/C20H16ClN3OS/c21-16-9-5-4-8-14(16)15-11-26-19-18(15)23-12-24(20(19)25)17(10-22)13-6-2-1-3-7-13/h1-9,11-12,17H,10,22H2/t17-/m0/s1
InChIKeyURVADUHCSXGHDS-KRWDZBQOSA-N
MW381.89 g/mol
LogP4.33
Rot. Bonds4

About 3-[(1R)-2-amino-1-phenylethyl]-7-(2-chlorophenyl)thieno[3,2-d]pyrimidin-4-one

3-[(1R)-2-amino-1-phenylethyl]-7-(2-chlorophenyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 155533298) has the molecular formula C20H16ClN3OS and a molecular weight of 381.89 g/mol. Its IUPAC name is 3-[(1R)-2-amino-1-phenylethyl]-7-(2-chlorophenyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1R)-2-amino-1-phenylethyl]-7-(2-chlorophenyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID155533298
Molecular FormulaC20H16ClN3OS
Molecular Weight381.89 g/mol
Exact Mass381.07
IUPAC Name3-[(1R)-2-amino-1-phenylethyl]-7-(2-chlorophenyl)thieno[3,2-d]pyrimidin-4-one
SMILESNC[C@@H](c1ccccc1)n1cnc2c(-c3ccccc3Cl)csc2c1=O
InChIInChI=1S/C20H16ClN3OS/c21-16-9-5-4-8-14(16)15-11-26-19-18(15)23-12-24(20(19)25)17(10-22)13-6-2-1-3-7-13/h1-9,11-12,17H,10,22H2/t17-/m0/s1
InChIKeyURVADUHCSXGHDS-KRWDZBQOSA-N
XLogP4.33
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-2-amino-1-phenylethyl]-7-(2-chlorophenyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(1R)-2-amino-1-phenylethyl]-7-(2-chlorophenyl)thieno[3,2-d]pyrimidin-4-one (CID 155533298) is 3-[(1R)-2-amino-1-phenylethyl]-7-(2-chlorophenyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(1R)-2-amino-1-phenylethyl]-7-(2-chlorophenyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(1R)-2-amino-1-phenylethyl]-7-(2-chlorophenyl)thieno[3,2-d]pyrimidin-4-one is NC[C@@H](c1ccccc1)n1cnc2c(-c3ccccc3Cl)csc2c1=O.
What is the InChIKey of 3-[(1R)-2-amino-1-phenylethyl]-7-(2-chlorophenyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is URVADUHCSXGHDS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H16ClN3OS/c21-16-9-5-4-8-14(16)15-11-26-19-18(15)23-12-24(20(19)25)17(10-22)13-6-2-1-3-7-13/h1-9,11-12,17H,10,22H2/t17-/m0/s1.
What are the key properties of 3-[(1R)-2-amino-1-phenylethyl]-7-(2-chlorophenyl)thieno[3,2-d]pyrimidin-4-one?
3-[(1R)-2-amino-1-phenylethyl]-7-(2-chlorophenyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 381.89 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-2-amino-1-phenylethyl]-7-(2-chlorophenyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 155533298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).