2-[3-[(2-morpholin-4-ylphenyl)methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C25H23N7OS — CID 45375946

IUPAC2-[3-[(2-morpholin-4-ylphenyl)methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESNc1ncnc2sc(-c3c(-c4ccccc4)ncn3Cc3ccccc3N3CCOCC3)nc12
InChIInChI=1S/C25H23N7OS/c26-23-21-24(28-15-27-23)34-25(30-21)22-20(17-6-2-1-3-7-17)29-16-32(22)14-18-8-4-5-9-19(18)31-10-12-33-13-11-31/h1-9,15-16H,10-14H2,(H2,26,27,28)
InChIKeyKXWVDPQADJDEQY-UHFFFAOYSA-N
MW469.57 g/mol
LogP4.08
Rot. Bonds5

About 2-[3-[(2-morpholin-4-ylphenyl)methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

2-[3-[(2-morpholin-4-ylphenyl)methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 45375946) has the molecular formula C25H23N7OS and a molecular weight of 469.57 g/mol. Its IUPAC name is 2-[3-[(2-morpholin-4-ylphenyl)methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[3-[(2-morpholin-4-ylphenyl)methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID45375946
Molecular FormulaC25H23N7OS
Molecular Weight469.57 g/mol
Exact Mass469.17
IUPAC Name2-[3-[(2-morpholin-4-ylphenyl)methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESNc1ncnc2sc(-c3c(-c4ccccc4)ncn3Cc3ccccc3N3CCOCC3)nc12
InChIInChI=1S/C25H23N7OS/c26-23-21-24(28-15-27-23)34-25(30-21)22-20(17-6-2-1-3-7-17)29-16-32(22)14-18-8-4-5-9-19(18)31-10-12-33-13-11-31/h1-9,15-16H,10-14H2,(H2,26,27,28)
InChIKeyKXWVDPQADJDEQY-UHFFFAOYSA-N
XLogP4.08
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-morpholin-4-ylphenyl)methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-[3-[(2-morpholin-4-ylphenyl)methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 45375946) is 2-[3-[(2-morpholin-4-ylphenyl)methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-[3-[(2-morpholin-4-ylphenyl)methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-[3-[(2-morpholin-4-ylphenyl)methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3Cc3ccccc3N3CCOCC3)nc12.
What is the InChIKey of 2-[3-[(2-morpholin-4-ylphenyl)methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is KXWVDPQADJDEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7OS/c26-23-21-24(28-15-27-23)34-25(30-21)22-20(17-6-2-1-3-7-17)29-16-32(22)14-18-8-4-5-9-19(18)31-10-12-33-13-11-31/h1-9,15-16H,10-14H2,(H2,26,27,28).
What are the key properties of 2-[3-[(2-morpholin-4-ylphenyl)methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-[3-[(2-morpholin-4-ylphenyl)methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 469.57 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-morpholin-4-ylphenyl)methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 45375946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).