(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyrrolidin-3-ol

C19H23FN8O — CID 154796586

About (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyrrolidin-3-ol

(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 154796586) has the molecular formula C19H23FN8O and a molecular weight of 398.45 g/mol. Its IUPAC name is (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
• PubChem CID: 154796586
• Molecular Formula: C19H23FN8O
• Molecular Weight: 398.45 g/mol
• Exact Mass: 398.20
• IUPAC Name: (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
• SMILES: CN(C)C[C@H]1C[C@@H](O)CN1c1cc(Nc2cnn(-c3ncccc3F)c2)ncn1
• InChI: InChI=1S/C19H23FN8O/c1-26(2)10-14-6-15(29)11-27(14)18-7-17(22-12-23-18)25-13-8-24-28(9-13)19-16(20)4-3-5-21-19/h3-5,7-9,12,14-15,29H,6,10-11H2,1-2H3,(H,22,23,25)/t14-,15-/m1/s1
• InChIKey: OQSQDQCKXIMWCY-HUUCEWRRSA-N
• XLogP: 1.44
• TPSA: 95.23 Ų
• H-Bond Donors: 2
• 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	1.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?

The IUPAC name of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyrrolidin-3-ol (CID 154796586) is (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyrrolidin-3-ol.

What is the SMILES notation for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?

The canonical SMILES for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyrrolidin-3-ol is CN(C)C[C@H]1C[C@@H](O)CN1c1cc(Nc2cnn(-c3ncccc3F)c2)ncn1.

What is the InChIKey of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?

The InChIKey is OQSQDQCKXIMWCY-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H23FN8O/c1-26(2)10-14-6-15(29)11-27(14)18-7-17(22-12-23-18)25-13-8-24-28(9-13)19-16(20)4-3-5-21-19/h3-5,7-9,12,14-15,29H,6,10-11H2,1-2H3,(H,22,23,25)/t14-,15-/m1/s1.

What are the key properties of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?

(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 398.45 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 154796586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).