cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone

C20H28N6O — CID 95820169

About cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone

cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone (PubChem CID 95820169) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 95820169
• Molecular Formula: C20H28N6O
• Molecular Weight: 368.49 g/mol
• Exact Mass: 368.23
• IUPAC Name: cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
• SMILES: Cc1nc(Nc2cc(C)[nH]n2)cc([C@H]2CCCN2C(=O)C2CCCCC2)n1
• InChI: InChI=1S/C20H28N6O/c1-13-11-19(25-24-13)23-18-12-16(21-14(2)22-18)17-9-6-10-26(17)20(27)15-7-4-3-5-8-15/h11-12,15,17H,3-10H2,1-2H3,(H2,21,22,23,24,25)/t17-/m1/s1
• InChIKey: BFMUPADGFJCYFQ-QGZVFWFLSA-N
• XLogP: 3.80
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.49
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone (CID 95820169) is cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone is Cc1nc(Nc2cc(C)[nH]n2)cc([C@H]2CCCN2C(=O)C2CCCCC2)n1.

What is the InChIKey of cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone?

The InChIKey is BFMUPADGFJCYFQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N6O/c1-13-11-19(25-24-13)23-18-12-16(21-14(2)22-18)17-9-6-10-26(17)20(27)15-7-4-3-5-8-15/h11-12,15,17H,3-10H2,1-2H3,(H2,21,22,23,24,25)/t17-/m1/s1.

What are the key properties of cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone?

cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone has a molecular weight of 368.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95820169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).