6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;1-[6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol

C31H38F4N10O2 — CID 158756032

About 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;1-[6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol

6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;1-[6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol (PubChem CID 158756032) has the molecular formula C31H38F4N10O2 and a molecular weight of 658.71 g/mol. Its IUPAC name is 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;1-[6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol.

Molecular Properties

• Compound Name: 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;1-[6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol
• PubChem CID: 158756032
• Molecular Formula: C31H38F4N10O2
• Molecular Weight: 658.71 g/mol
• Exact Mass: 658.31
• IUPAC Name: 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;1-[6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol
• SMILES: Cc1cc(C)n(-c2nc(C=O)cc(NC3CCC(F)(F)C3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)C3)cc(C(C)O)n2)n1
• InChI: InChI=1S/C16H21F2N5O.C15H17F2N5O/c1-9-6-10(2)23(22-9)15-20-13(11(3)24)7-14(21-15)19-12-4-5-16(17,18)8-12;1-9-5-10(2)22(21-9)14-19-12(8-23)6-13(20-14)18-11-3-4-15(16,17)7-11/h6-7,11-12,24H,4-5,8H2,1-3H3,(H,19,20,21);5-6,8,11H,3-4,7H2,1-2H3,(H,18,19,20)
• InChIKey: IOBYYCHKLZQHCH-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 148.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	658.71
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;1-[6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol?

The IUPAC name of 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;1-[6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol (CID 158756032) is 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;1-[6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol.

What is the SMILES notation for 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;1-[6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol?

The canonical SMILES for 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;1-[6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol is Cc1cc(C)n(-c2nc(C=O)cc(NC3CCC(F)(F)C3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)C3)cc(C(C)O)n2)n1.

What is the InChIKey of 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;1-[6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol?

The InChIKey is IOBYYCHKLZQHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5O.C15H17F2N5O/c1-9-6-10(2)23(22-9)15-20-13(11(3)24)7-14(21-15)19-12-4-5-16(17,18)8-12;1-9-5-10(2)22(21-9)14-19-12(8-23)6-13(20-14)18-11-3-4-15(16,17)7-11/h6-7,11-12,24H,4-5,8H2,1-3H3,(H,19,20,21);5-6,8,11H,3-4,7H2,1-2H3,(H,18,19,20).

What are the key properties of 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;1-[6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol?

6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;1-[6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol has a molecular weight of 658.71 g/mol, XLogP of 5.62, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;1-[6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol is sourced from PubChem (CID 158756032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).