5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methyl-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine

C23H23N7O — CID 44589647

About 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methyl-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methyl-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 44589647) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methyl-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methyl-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine
• PubChem CID: 44589647
• Molecular Formula: C23H23N7O
• Molecular Weight: 413.49 g/mol
• Exact Mass: 413.20
• IUPAC Name: 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methyl-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine
• SMILES: Cc1cc(CCNc2ncc(-c3nnc(C4CC4)o3)c(Nc3ccccc3)n2)ccn1
• InChI: InChI=1S/C23H23N7O/c1-15-13-16(9-11-24-15)10-12-25-23-26-14-19(22-30-29-21(31-22)17-7-8-17)20(28-23)27-18-5-3-2-4-6-18/h2-6,9,11,13-14,17H,7-8,10,12H2,1H3,(H2,25,26,27,28)
• InChIKey: COHMNFWDMCZZRN-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 101.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.49
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methyl-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine?

The IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methyl-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine (CID 44589647) is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methyl-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine.

What is the SMILES notation for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methyl-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine?

The canonical SMILES for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methyl-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine is Cc1cc(CCNc2ncc(-c3nnc(C4CC4)o3)c(Nc3ccccc3)n2)ccn1.

What is the InChIKey of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methyl-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine?

The InChIKey is COHMNFWDMCZZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-15-13-16(9-11-24-15)10-12-25-23-26-14-19(22-30-29-21(31-22)17-7-8-17)20(28-23)27-18-5-3-2-4-6-18/h2-6,9,11,13-14,17H,7-8,10,12H2,1H3,(H2,25,26,27,28).

What are the key properties of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methyl-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine?

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methyl-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 413.49 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methyl-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 44589647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).