2-(2-chloro-6-fluorophenyl)-4-[(2S)-1-methyl-4-pyrimidin-4-yl-2H-pyrimidin-2-yl]morpholine

C19H19ClFN5O — CID 141064455

IUPAC2-(2-chloro-6-fluorophenyl)-4-[(2S)-1-methyl-4-pyrimidin-4-yl-2H-pyrimidin-2-yl]morpholine
SMILESCN1C=CC(c2ccncn2)=N[C@H]1N1CCOC(c2c(F)cccc2Cl)C1
InChIInChI=1S/C19H19ClFN5O/c1-25-8-6-16(15-5-7-22-12-23-15)24-19(25)26-9-10-27-17(11-26)18-13(20)3-2-4-14(18)21/h2-8,12,17,19H,9-11H2,1H3/t17?,19-/m1/s1
InChIKeyWQUXODPPUACMCY-WHCXFUJUSA-N
MW387.85 g/mol
LogP2.87
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-4-[(2S)-1-methyl-4-pyrimidin-4-yl-2H-pyrimidin-2-yl]morpholine

2-(2-chloro-6-fluorophenyl)-4-[(2S)-1-methyl-4-pyrimidin-4-yl-2H-pyrimidin-2-yl]morpholine (PubChem CID 141064455) has the molecular formula C19H19ClFN5O and a molecular weight of 387.85 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-4-[(2S)-1-methyl-4-pyrimidin-4-yl-2H-pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-4-[(2S)-1-methyl-4-pyrimidin-4-yl-2H-pyrimidin-2-yl]morpholine
PubChem CID141064455
Molecular FormulaC19H19ClFN5O
Molecular Weight387.85 g/mol
Exact Mass387.13
IUPAC Name2-(2-chloro-6-fluorophenyl)-4-[(2S)-1-methyl-4-pyrimidin-4-yl-2H-pyrimidin-2-yl]morpholine
SMILESCN1C=CC(c2ccncn2)=N[C@H]1N1CCOC(c2c(F)cccc2Cl)C1
InChIInChI=1S/C19H19ClFN5O/c1-25-8-6-16(15-5-7-22-12-23-15)24-19(25)26-9-10-27-17(11-26)18-13(20)3-2-4-14(18)21/h2-8,12,17,19H,9-11H2,1H3/t17?,19-/m1/s1
InChIKeyWQUXODPPUACMCY-WHCXFUJUSA-N
XLogP2.87
TPSA53.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-[(2S)-1-methyl-4-pyrimidin-4-yl-2H-pyrimidin-2-yl]morpholine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-[(2S)-1-methyl-4-pyrimidin-4-yl-2H-pyrimidin-2-yl]morpholine (CID 141064455) is 2-(2-chloro-6-fluorophenyl)-4-[(2S)-1-methyl-4-pyrimidin-4-yl-2H-pyrimidin-2-yl]morpholine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-4-[(2S)-1-methyl-4-pyrimidin-4-yl-2H-pyrimidin-2-yl]morpholine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-4-[(2S)-1-methyl-4-pyrimidin-4-yl-2H-pyrimidin-2-yl]morpholine is CN1C=CC(c2ccncn2)=N[C@H]1N1CCOC(c2c(F)cccc2Cl)C1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-4-[(2S)-1-methyl-4-pyrimidin-4-yl-2H-pyrimidin-2-yl]morpholine?
The InChIKey is WQUXODPPUACMCY-WHCXFUJUSA-N. The full InChI is InChI=1S/C19H19ClFN5O/c1-25-8-6-16(15-5-7-22-12-23-15)24-19(25)26-9-10-27-17(11-26)18-13(20)3-2-4-14(18)21/h2-8,12,17,19H,9-11H2,1H3/t17?,19-/m1/s1.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-4-[(2S)-1-methyl-4-pyrimidin-4-yl-2H-pyrimidin-2-yl]morpholine?
2-(2-chloro-6-fluorophenyl)-4-[(2S)-1-methyl-4-pyrimidin-4-yl-2H-pyrimidin-2-yl]morpholine has a molecular weight of 387.85 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-4-[(2S)-1-methyl-4-pyrimidin-4-yl-2H-pyrimidin-2-yl]morpholine is sourced from PubChem (CID 141064455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).