(6S)-2-amino-6-[2-fluoro-5-[2-(5-methyl-1H-pyrazol-3-yl)ethylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one

C20H27FN6O — CID 66746300

About (6S)-2-amino-6-[2-fluoro-5-[2-(5-methyl-1H-pyrazol-3-yl)ethylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one

(6S)-2-amino-6-[2-fluoro-5-[2-(5-methyl-1H-pyrazol-3-yl)ethylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one (PubChem CID 66746300) has the molecular formula C20H27FN6O and a molecular weight of 386.48 g/mol. Its IUPAC name is (6S)-2-amino-6-[2-fluoro-5-[2-(5-methyl-1H-pyrazol-3-yl)ethylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one.

Molecular Properties

• Compound Name: (6S)-2-amino-6-[2-fluoro-5-[2-(5-methyl-1H-pyrazol-3-yl)ethylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
• PubChem CID: 66746300
• Molecular Formula: C20H27FN6O
• Molecular Weight: 386.48 g/mol
• Exact Mass: 386.22
• IUPAC Name: (6S)-2-amino-6-[2-fluoro-5-[2-(5-methyl-1H-pyrazol-3-yl)ethylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
• SMILES: Cc1cc(CCNc2ccc(F)c([C@@]3(C)N=C(N)N(C)C(=O)C3(C)C)c2)n[nH]1
• InChI: InChI=1S/C20H27FN6O/c1-12-10-14(26-25-12)8-9-23-13-6-7-16(21)15(11-13)20(4)19(2,3)17(28)27(5)18(22)24-20/h6-7,10-11,23H,8-9H2,1-5H3,(H2,22,24)(H,25,26)/t20-/m1/s1
• InChIKey: PMSMOWFDEVGQNW-HXUWFJFHSA-N
• XLogP: 2.54
• TPSA: 99.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.48
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[2-fluoro-5-[2-(5-methyl-1H-pyrazol-3-yl)ethylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?

The IUPAC name of (6S)-2-amino-6-[2-fluoro-5-[2-(5-methyl-1H-pyrazol-3-yl)ethylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one (CID 66746300) is (6S)-2-amino-6-[2-fluoro-5-[2-(5-methyl-1H-pyrazol-3-yl)ethylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one.

What is the SMILES notation for (6S)-2-amino-6-[2-fluoro-5-[2-(5-methyl-1H-pyrazol-3-yl)ethylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?

The canonical SMILES for (6S)-2-amino-6-[2-fluoro-5-[2-(5-methyl-1H-pyrazol-3-yl)ethylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one is Cc1cc(CCNc2ccc(F)c([C@@]3(C)N=C(N)N(C)C(=O)C3(C)C)c2)n[nH]1.

What is the InChIKey of (6S)-2-amino-6-[2-fluoro-5-[2-(5-methyl-1H-pyrazol-3-yl)ethylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?

The InChIKey is PMSMOWFDEVGQNW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27FN6O/c1-12-10-14(26-25-12)8-9-23-13-6-7-16(21)15(11-13)20(4)19(2,3)17(28)27(5)18(22)24-20/h6-7,10-11,23H,8-9H2,1-5H3,(H2,22,24)(H,25,26)/t20-/m1/s1.

What are the key properties of (6S)-2-amino-6-[2-fluoro-5-[2-(5-methyl-1H-pyrazol-3-yl)ethylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?

(6S)-2-amino-6-[2-fluoro-5-[2-(5-methyl-1H-pyrazol-3-yl)ethylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one has a molecular weight of 386.48 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-amino-6-[2-fluoro-5-[2-(5-methyl-1H-pyrazol-3-yl)ethylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one is sourced from PubChem (CID 66746300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).