(3R)-4-[2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;methane

C50H74BCl4N15O5 — CID 167682067

About (3R)-4-[2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;methane

(3R)-4-[2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;methane (PubChem CID 167682067) has the molecular formula C50H74BCl4N15O5 and a molecular weight of 1117.87 g/mol. Its IUPAC name is (3R)-4-[2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;methane.

Molecular Properties

• Compound Name: (3R)-4-[2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;methane
• PubChem CID: 167682067
• Molecular Formula: C50H74BCl4N15O5
• Molecular Weight: 1117.87 g/mol
• Exact Mass: 1115.48
• IUPAC Name: (3R)-4-[2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;methane
• SMILES: C.C.C[C@@H]1COCCN1c1cc(Cl)nc(Cl)n1.Cc1n[nH]c(C)c1-c1cc(N2CCOC[C@H]2C)nc(Cl)n1.Cc1n[nH]c(C)c1-c1nc(Cl)cc(N2CCOC[C@H]2C)n1.Cc1n[nH]c(C)c1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/2C14H18ClN5O.C11H19BN2O2.C9H11Cl2N3O.2CH4/c1-8-7-21-5-4-20(8)12-6-11(15)16-14(17-12)13-9(2)18-19-10(13)3;1-8-7-21-5-4-20(8)12-6-11(16-14(15)17-12)13-9(2)18-19-10(13)3;1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12;1-6-5-15-3-2-14(6)8-4-7(10)12-9(11)13-8;;/h2*6,8H,4-5,7H2,1-3H3,(H,18,19);1-6H3,(H,13,14);4,6H,2-3,5H2,1H3;2*1H4/t2*8-;;6-;;/m11.1../s1
• InChIKey: VRMHZWPLGZESFX-MCQLZNKRSA-N
• XLogP: 9.33
• TPSA: 219.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1117.87
LogP ≤ 5	9.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;methane?

The IUPAC name of (3R)-4-[2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;methane (CID 167682067) is (3R)-4-[2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;methane.

What is the SMILES notation for (3R)-4-[2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;methane?

The canonical SMILES for (3R)-4-[2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;methane is C.C.C[C@@H]1COCCN1c1cc(Cl)nc(Cl)n1.Cc1n[nH]c(C)c1-c1cc(N2CCOC[C@H]2C)nc(Cl)n1.Cc1n[nH]c(C)c1-c1nc(Cl)cc(N2CCOC[C@H]2C)n1.Cc1n[nH]c(C)c1B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of (3R)-4-[2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;methane?

The InChIKey is VRMHZWPLGZESFX-MCQLZNKRSA-N. The full InChI is InChI=1S/2C14H18ClN5O.C11H19BN2O2.C9H11Cl2N3O.2CH4/c1-8-7-21-5-4-20(8)12-6-11(15)16-14(17-12)13-9(2)18-19-10(13)3;1-8-7-21-5-4-20(8)12-6-11(16-14(15)17-12)13-9(2)18-19-10(13)3;1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12;1-6-5-15-3-2-14(6)8-4-7(10)12-9(11)13-8;;/h2*6,8H,4-5,7H2,1-3H3,(H,18,19);1-6H3,(H,13,14);4,6H,2-3,5H2,1H3;2*1H4/t2*8-;;6-;;/m11.1../s1.

What are the key properties of (3R)-4-[2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;methane?

(3R)-4-[2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;methane has a molecular weight of 1117.87 g/mol, XLogP of 9.33, 6 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-[2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;methane is sourced from PubChem (CID 167682067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).