(2R)-2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol

C24H30ClFN8O2 — CID 24949553

About (2R)-2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol

(2R)-2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol (PubChem CID 24949553) has the molecular formula C24H30ClFN8O2 and a molecular weight of 517.01 g/mol. Its IUPAC name is (2R)-2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol.

Molecular Properties

• Compound Name: (2R)-2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol
• PubChem CID: 24949553
• Molecular Formula: C24H30ClFN8O2
• Molecular Weight: 517.01 g/mol
• Exact Mass: 516.22
• IUPAC Name: (2R)-2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol
• SMILES: OC[C@H](Nc1nc(NCCN2CCOCC2)c(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
• InChI: InChI=1S/C24H30ClFN8O2/c25-21-22(27-7-8-34-9-11-36-12-10-34)30-24(28-19(14-35)16-3-5-17(26)6-4-16)31-23(21)29-20-13-18(32-33-20)15-1-2-15/h3-6,13,15,19,35H,1-2,7-12,14H2,(H4,27,28,29,30,31,32,33)/t19-/m0/s1
• InChIKey: PVGDXMHHUKDCPI-IBGZPJMESA-N
• XLogP: 3.50
• TPSA: 123.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.01
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol?

The IUPAC name of (2R)-2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol (CID 24949553) is (2R)-2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol.

What is the SMILES notation for (2R)-2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol?

The canonical SMILES for (2R)-2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol is OC[C@H](Nc1nc(NCCN2CCOCC2)c(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1.

What is the InChIKey of (2R)-2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol?

The InChIKey is PVGDXMHHUKDCPI-IBGZPJMESA-N. The full InChI is InChI=1S/C24H30ClFN8O2/c25-21-22(27-7-8-34-9-11-36-12-10-34)30-24(28-19(14-35)16-3-5-17(26)6-4-16)31-23(21)29-20-13-18(32-33-20)15-1-2-15/h3-6,13,15,19,35H,1-2,7-12,14H2,(H4,27,28,29,30,31,32,33)/t19-/m0/s1.

What are the key properties of (2R)-2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol?

(2R)-2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol has a molecular weight of 517.01 g/mol, XLogP of 3.50, 11 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 24949553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).