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

C53H80BCl4N15O5 — CID 167652882

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

(3R)-4-[2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;methane;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 167652882) has the molecular formula C53H80BCl4N15O5 and a molecular weight of 1159.95 g/mol. Its IUPAC name is (3R)-4-[2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;methane;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: (3R)-4-[2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;methane;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 167652882
• Molecular Formula: C53H80BCl4N15O5
• Molecular Weight: 1159.95 g/mol
• Exact Mass: 1157.53
• IUPAC Name: (3R)-4-[2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;methane;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: C.C.C[C@@H]1COCCN1c1cc(Cl)nc(Cl)n1.Cc1nn(C)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(Cl)n1.Cc1nn(C)c(C)c1-c1nc(Cl)cc(N2CCOC[C@H]2C)n1.Cc1nn(C)c(C)c1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/2C15H20ClN5O.C12H21BN2O2.C9H11Cl2N3O.2CH4/c1-9-8-22-6-5-21(9)13-7-12(16)17-15(18-13)14-10(2)19-20(4)11(14)3;1-9-8-22-6-5-21(9)13-7-12(17-15(16)18-13)14-10(2)19-20(4)11(14)3;1-8-10(9(2)15(7)14-8)13-16-11(3,4)12(5,6)17-13;1-6-5-15-3-2-14(6)8-4-7(10)12-9(11)13-8;;/h2*7,9H,5-6,8H2,1-4H3;1-7H3;4,6H,2-3,5H2,1H3;2*1H4/t2*9-;;6-;;/m11.1../s1
• InChIKey: QVHRNTGFHCSYJN-OHNVJYEJSA-N
• XLogP: 9.36
• TPSA: 186.67 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1159.95
LogP ≤ 5	9.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;methane;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of (3R)-4-[2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;methane;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 167652882) is (3R)-4-[2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;methane;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

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

The canonical SMILES for (3R)-4-[2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;methane;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is C.C.C[C@@H]1COCCN1c1cc(Cl)nc(Cl)n1.Cc1nn(C)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(Cl)n1.Cc1nn(C)c(C)c1-c1nc(Cl)cc(N2CCOC[C@H]2C)n1.Cc1nn(C)c(C)c1B1OC(C)(C)C(C)(C)O1.

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

The InChIKey is QVHRNTGFHCSYJN-OHNVJYEJSA-N. The full InChI is InChI=1S/2C15H20ClN5O.C12H21BN2O2.C9H11Cl2N3O.2CH4/c1-9-8-22-6-5-21(9)13-7-12(16)17-15(18-13)14-10(2)19-20(4)11(14)3;1-9-8-22-6-5-21(9)13-7-12(17-15(16)18-13)14-10(2)19-20(4)11(14)3;1-8-10(9(2)15(7)14-8)13-16-11(3,4)12(5,6)17-13;1-6-5-15-3-2-14(6)8-4-7(10)12-9(11)13-8;;/h2*7,9H,5-6,8H2,1-4H3;1-7H3;4,6H,2-3,5H2,1H3;2*1H4/t2*9-;;6-;;/m11.1../s1.

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

(3R)-4-[2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;methane;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1159.95 g/mol, XLogP of 9.36, 6 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-[2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;methane;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 167652882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).