2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine

C₁₉H₂₃FN₈O — CID 74223584

About 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine

2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine (PubChem CID 74223584) has the molecular formula C₁₉H₂₃FN₈O and a molecular weight of 398.45 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
• PubChem CID: 74223584
• Molecular Formula: C₁₉H₂₃FN₈O
• Molecular Weight: 398.45 g/mol
• Exact Mass: 398.20
• IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
• SMILES: COC[C@H]1CCCN1c1nc(-n2nc(C)cc2C)nc(Nc2ncccn2)c1F
• InChI: InChI=1S/C19H23FN8O/c1-12-10-13(2)28(26-12)19-24-16(23-18-21-7-5-8-22-18)15(20)17(25-19)27-9-4-6-14(27)11-29-3/h5,7-8,10,14H,4,6,9,11H2,1-3H3,(H,21,22,23,24,25)/t14-/m1/s1
• InChIKey: CCFOHIBFCMNIPU-CQSZACIVSA-N
• XLogP: 2.57
• TPSA: 93.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.45
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?

The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine (CID 74223584) is 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine.

What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?

The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine is COC[C@H]1CCCN1c1nc(-n2nc(C)cc2C)nc(Nc2ncccn2)c1F.

What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?

The InChIKey is CCFOHIBFCMNIPU-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23FN8O/c1-12-10-13(2)28(26-12)19-24-16(23-18-21-7-5-8-22-18)15(20)17(25-19)27-9-4-6-14(27)11-29-3/h5,7-8,10,14H,4,6,9,11H2,1-3H3,(H,21,22,23,24,25)/t14-/m1/s1.

What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?

2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine has a molecular weight of 398.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 74223584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 74223584 — identifiers, structure, computed properties (public domain)

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