6-[3-[(2-methoxyphenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine

C23H19N5OS — CID 10093162

IUPAC6-[3-[(2-methoxyphenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1Cn1cnc(-c2ccccc2)c1-c1cc2c(N)ncnc2s1
InChIInChI=1S/C23H19N5OS/c1-29-18-10-6-5-9-16(18)12-28-14-27-20(15-7-3-2-4-8-15)21(28)19-11-17-22(24)25-13-26-23(17)30-19/h2-11,13-14H,12H2,1H3,(H2,24,25,26)
InChIKeyZBUWTKYJJBTEIF-UHFFFAOYSA-N
MW413.51 g/mol
LogP4.86
Rot. Bonds5

About 6-[3-[(2-methoxyphenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine

6-[3-[(2-methoxyphenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 10093162) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is 6-[3-[(2-methoxyphenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-[(2-methoxyphenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID10093162
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC Name6-[3-[(2-methoxyphenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1Cn1cnc(-c2ccccc2)c1-c1cc2c(N)ncnc2s1
InChIInChI=1S/C23H19N5OS/c1-29-18-10-6-5-9-16(18)12-28-14-27-20(15-7-3-2-4-8-15)21(28)19-11-17-22(24)25-13-26-23(17)30-19/h2-11,13-14H,12H2,1H3,(H2,24,25,26)
InChIKeyZBUWTKYJJBTEIF-UHFFFAOYSA-N
XLogP4.86
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(2-methoxyphenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[3-[(2-methoxyphenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine (CID 10093162) is 6-[3-[(2-methoxyphenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-[(2-methoxyphenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[3-[(2-methoxyphenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine is COc1ccccc1Cn1cnc(-c2ccccc2)c1-c1cc2c(N)ncnc2s1.
What is the InChIKey of 6-[3-[(2-methoxyphenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZBUWTKYJJBTEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS/c1-29-18-10-6-5-9-16(18)12-28-14-27-20(15-7-3-2-4-8-15)21(28)19-11-17-22(24)25-13-26-23(17)30-19/h2-11,13-14H,12H2,1H3,(H2,24,25,26).
What are the key properties of 6-[3-[(2-methoxyphenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
6-[3-[(2-methoxyphenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 413.51 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(2-methoxyphenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10093162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).