N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine

C20H17N3O2S — CID 2494828

IUPACN-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)cc1OC
InChIInChI=1S/C20H17N3O2S/c1-24-16-9-8-14(10-17(16)25-2)23-19-15-11-18(13-6-4-3-5-7-13)26-20(15)22-12-21-19/h3-12H,1-2H3,(H,21,22,23)
InChIKeyXUXTVLKGKGXAFS-UHFFFAOYSA-N
MW363.44 g/mol
LogP5.12
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine

N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2494828) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2494828
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)cc1OC
InChIInChI=1S/C20H17N3O2S/c1-24-16-9-8-14(10-17(16)25-2)23-19-15-11-18(13-6-4-3-5-7-13)26-20(15)22-12-21-19/h3-12H,1-2H3,(H,21,22,23)
InChIKeyXUXTVLKGKGXAFS-UHFFFAOYSA-N
XLogP5.12
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 2494828) is N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XUXTVLKGKGXAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-24-16-9-8-14(10-17(16)25-2)23-19-15-11-18(13-6-4-3-5-7-13)26-20(15)22-12-21-19/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 363.44 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2494828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).