2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one

C83H76N30O6 — CID 160762158

About 2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one

2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one (PubChem CID 160762158) has the molecular formula C83H76N30O6 and a molecular weight of 1589.72 g/mol. Its IUPAC name is 2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one.

Molecular Properties

• Compound Name: 2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one
• PubChem CID: 160762158
• Molecular Formula: C83H76N30O6
• Molecular Weight: 1589.72 g/mol
• Exact Mass: 1588.66
• IUPAC Name: 2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one
• SMILES: CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1nc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.Cc1noc(-c2c(N)ncnc2N[C@@H](C)c2nc3cccc(-c4cnn(C)c4)c3c(=O)n2-c2ccccc2)n1
• InChI: InChI=1S/2C28H26N10O2.C27H24N10O2/c1-4-20(33-25-23(24(29)30-15-31-25)27-36-35-16(2)40-27)26-34-21-12-8-11-19(17-13-32-37(3)14-17)22(21)28(39)38(26)18-9-6-5-7-10-18;1-4-20(34-25-23(24(29)30-15-31-25)27-33-16(2)36-40-27)26-35-21-12-8-11-19(17-13-32-37(3)14-17)22(21)28(39)38(26)18-9-6-5-7-10-18;1-15(32-24-22(23(28)29-14-30-24)26-33-16(2)35-39-26)25-34-20-11-7-10-19(17-12-31-36(3)13-17)21(20)27(38)37(25)18-8-5-4-6-9-18/h5-15,20H,4H2,1-3H3,(H3,29,30,31,33);5-15,20H,4H2,1-3H3,(H3,29,30,31,34);4-15H,1-3H3,(H3,28,29,30,32)/t2*20-;15-/m000/s1
• InChIKey: RYEZNXCIXTWJLP-UYFKBFMESA-N
• XLogP: 11.85
• TPSA: 466.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 20
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1589.72
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one?

The IUPAC name of 2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one (CID 160762158) is 2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one.

What is the SMILES notation for 2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one?

The canonical SMILES for 2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one is CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1nc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.Cc1noc(-c2c(N)ncnc2N[C@@H](C)c2nc3cccc(-c4cnn(C)c4)c3c(=O)n2-c2ccccc2)n1.

What is the InChIKey of 2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one?

The InChIKey is RYEZNXCIXTWJLP-UYFKBFMESA-N. The full InChI is InChI=1S/2C28H26N10O2.C27H24N10O2/c1-4-20(33-25-23(24(29)30-15-31-25)27-36-35-16(2)40-27)26-34-21-12-8-11-19(17-13-32-37(3)14-17)22(21)28(39)38(26)18-9-6-5-7-10-18;1-4-20(34-25-23(24(29)30-15-31-25)27-33-16(2)36-40-27)26-35-21-12-8-11-19(17-13-32-37(3)14-17)22(21)28(39)38(26)18-9-6-5-7-10-18;1-15(32-24-22(23(28)29-14-30-24)26-33-16(2)35-39-26)25-34-20-11-7-10-19(17-12-31-36(3)13-17)21(20)27(38)37(25)18-8-5-4-6-9-18/h5-15,20H,4H2,1-3H3,(H3,29,30,31,33);5-15,20H,4H2,1-3H3,(H3,29,30,31,34);4-15H,1-3H3,(H3,28,29,30,32)/t2*20-;15-/m000/s1.

What are the key properties of 2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one?

2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one has a molecular weight of 1589.72 g/mol, XLogP of 11.85, 20 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one is sourced from PubChem (CID 160762158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).