5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methylquinazoline-2,4-diamine

C23H23FN6 — CID 68931437

About 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methylquinazoline-2,4-diamine

5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methylquinazoline-2,4-diamine (PubChem CID 68931437) has the molecular formula C23H23FN6 and a molecular weight of 402.48 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methylquinazoline-2,4-diamine.

Molecular Properties

• Compound Name: 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methylquinazoline-2,4-diamine
• PubChem CID: 68931437
• Molecular Formula: C23H23FN6
• Molecular Weight: 402.48 g/mol
• Exact Mass: 402.20
• IUPAC Name: 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methylquinazoline-2,4-diamine
• SMILES: Cc1ccc2nc(N[C@@H](C)c3ccc(F)cc3)nc(N)c2c1-c1cc(C2CC2)[nH]n1
• InChI: InChI=1S/C23H23FN6/c1-12-3-10-17-21(20(12)19-11-18(29-30-19)15-4-5-15)22(25)28-23(27-17)26-13(2)14-6-8-16(24)9-7-14/h3,6-11,13,15H,4-5H2,1-2H3,(H,29,30)(H3,25,26,27,28)/t13-/m0/s1
• InChIKey: UUHIORQNWCXBMV-ZDUSSCGKSA-N
• XLogP: 5.10
• TPSA: 92.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.48
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methylquinazoline-2,4-diamine?

The IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methylquinazoline-2,4-diamine (CID 68931437) is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methylquinazoline-2,4-diamine.

What is the SMILES notation for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methylquinazoline-2,4-diamine?

The canonical SMILES for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methylquinazoline-2,4-diamine is Cc1ccc2nc(N[C@@H](C)c3ccc(F)cc3)nc(N)c2c1-c1cc(C2CC2)[nH]n1.

What is the InChIKey of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methylquinazoline-2,4-diamine?

The InChIKey is UUHIORQNWCXBMV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H23FN6/c1-12-3-10-17-21(20(12)19-11-18(29-30-19)15-4-5-15)22(25)28-23(27-17)26-13(2)14-6-8-16(24)9-7-14/h3,6-11,13,15H,4-5H2,1-2H3,(H,29,30)(H3,25,26,27,28)/t13-/m0/s1.

What are the key properties of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methylquinazoline-2,4-diamine?

5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methylquinazoline-2,4-diamine has a molecular weight of 402.48 g/mol, XLogP of 5.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methylquinazoline-2,4-diamine is sourced from PubChem (CID 68931437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).