4-[[5-fluoro-4-methoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol

C19H25FN6O2 — CID 163253432

About 4-[[5-fluoro-4-methoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol

4-[[5-fluoro-4-methoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol (PubChem CID 163253432) has the molecular formula C19H25FN6O2 and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-[[5-fluoro-4-methoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol.

Molecular Properties

• Compound Name: 4-[[5-fluoro-4-methoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol
• PubChem CID: 163253432
• Molecular Formula: C19H25FN6O2
• Molecular Weight: 388.45 g/mol
• Exact Mass: 388.20
• IUPAC Name: 4-[[5-fluoro-4-methoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol
• SMILES: COc1nc(NC2C3CC4CC2CC(O)(C4)C3)nc(Nc2cc(C)[nH]n2)c1F
• InChI: InChI=1S/C19H25FN6O2/c1-9-3-13(26-25-9)21-16-14(20)17(28-2)24-18(23-16)22-15-11-4-10-5-12(15)8-19(27,6-10)7-11/h3,10-12,15,27H,4-8H2,1-2H3,(H3,21,22,23,24,25,26)
• InChIKey: QIOFHAHHENDMTQ-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 107.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.45
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-4-methoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol?

The IUPAC name of 4-[[5-fluoro-4-methoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol (CID 163253432) is 4-[[5-fluoro-4-methoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol.

What is the SMILES notation for 4-[[5-fluoro-4-methoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol?

The canonical SMILES for 4-[[5-fluoro-4-methoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol is COc1nc(NC2C3CC4CC2CC(O)(C4)C3)nc(Nc2cc(C)[nH]n2)c1F.

What is the InChIKey of 4-[[5-fluoro-4-methoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol?

The InChIKey is QIOFHAHHENDMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O2/c1-9-3-13(26-25-9)21-16-14(20)17(28-2)24-18(23-16)22-15-11-4-10-5-12(15)8-19(27,6-10)7-11/h3,10-12,15,27H,4-8H2,1-2H3,(H3,21,22,23,24,25,26).

What are the key properties of 4-[[5-fluoro-4-methoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol?

4-[[5-fluoro-4-methoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol has a molecular weight of 388.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-fluoro-4-methoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol is sourced from PubChem (CID 163253432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).