4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C19H21FN4O2 — CID 59639616

About 4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59639616) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 59639616
• Molecular Formula: C19H21FN4O2
• Molecular Weight: 356.40 g/mol
• Exact Mass: 356.16
• IUPAC Name: 4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1cc(F)ccc1-c1nc(NCCO)nc2c1ccc(=O)n2C(C)C
• InChI: InChI=1S/C19H21FN4O2/c1-11(2)24-16(26)7-6-15-17(14-5-4-13(20)10-12(14)3)22-19(21-8-9-25)23-18(15)24/h4-7,10-11,25H,8-9H2,1-3H3,(H,21,22,23)
• InChIKey: SRQNUDDHVLKBHJ-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 80.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.40
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 59639616) is 4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is Cc1cc(F)ccc1-c1nc(NCCO)nc2c1ccc(=O)n2C(C)C.

What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

The InChIKey is SRQNUDDHVLKBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-11(2)24-16(26)7-6-15-17(14-5-4-13(20)10-12(14)3)22-19(21-8-9-25)23-18(15)24/h4-7,10-11,25H,8-9H2,1-3H3,(H,21,22,23).

What are the key properties of 4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 356.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59639616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).