3-(4-amino-5-methylpyrimidin-2-yl)-5-fluoro-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]benzamide

C21H22FN5O — CID 169410706

About 3-(4-amino-5-methylpyrimidin-2-yl)-5-fluoro-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]benzamide

3-(4-amino-5-methylpyrimidin-2-yl)-5-fluoro-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]benzamide (PubChem CID 169410706) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-(4-amino-5-methylpyrimidin-2-yl)-5-fluoro-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-(4-amino-5-methylpyrimidin-2-yl)-5-fluoro-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]benzamide
• PubChem CID: 169410706
• Molecular Formula: C21H22FN5O
• Molecular Weight: 379.44 g/mol
• Exact Mass: 379.18
• IUPAC Name: 3-(4-amino-5-methylpyrimidin-2-yl)-5-fluoro-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]benzamide
• SMILES: Cc1cnc(-c2cc(F)cc(C(=O)NC(C)Cc3ncccc3C)c2)nc1N
• InChI: InChI=1S/C21H22FN5O/c1-12-5-4-6-24-18(12)7-14(3)26-21(28)16-8-15(9-17(22)10-16)20-25-11-13(2)19(23)27-20/h4-6,8-11,14H,7H2,1-3H3,(H,26,28)(H2,23,25,27)
• InChIKey: MJLPODXAZPZHPQ-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 93.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.44
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-5-methylpyrimidin-2-yl)-5-fluoro-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]benzamide?

The IUPAC name of 3-(4-amino-5-methylpyrimidin-2-yl)-5-fluoro-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]benzamide (CID 169410706) is 3-(4-amino-5-methylpyrimidin-2-yl)-5-fluoro-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]benzamide.

What is the SMILES notation for 3-(4-amino-5-methylpyrimidin-2-yl)-5-fluoro-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]benzamide?

The canonical SMILES for 3-(4-amino-5-methylpyrimidin-2-yl)-5-fluoro-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]benzamide is Cc1cnc(-c2cc(F)cc(C(=O)NC(C)Cc3ncccc3C)c2)nc1N.

What is the InChIKey of 3-(4-amino-5-methylpyrimidin-2-yl)-5-fluoro-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]benzamide?

The InChIKey is MJLPODXAZPZHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-12-5-4-6-24-18(12)7-14(3)26-21(28)16-8-15(9-17(22)10-16)20-25-11-13(2)19(23)27-20/h4-6,8-11,14H,7H2,1-3H3,(H,26,28)(H2,23,25,27).

What are the key properties of 3-(4-amino-5-methylpyrimidin-2-yl)-5-fluoro-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]benzamide?

3-(4-amino-5-methylpyrimidin-2-yl)-5-fluoro-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]benzamide has a molecular weight of 379.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-amino-5-methylpyrimidin-2-yl)-5-fluoro-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]benzamide is sourced from PubChem (CID 169410706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).