4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyrimidine

C19H15ClF2N2O2 — CID 167474381

IUPAC4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyrimidine
SMILESCOc1cc(OC)cc(-c2nc(C)nc(Cl)c2-c2c(F)cccc2F)c1
InChIInChI=1S/C19H15ClF2N2O2/c1-10-23-18(11-7-12(25-2)9-13(8-11)26-3)17(19(20)24-10)16-14(21)5-4-6-15(16)22/h4-9H,1-3H3
InChIKeyKSADPYQGLDSVHB-UHFFFAOYSA-N
MW376.79 g/mol
LogP5.07
Rot. Bonds4

About 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyrimidine

4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyrimidine (PubChem CID 167474381) has the molecular formula C19H15ClF2N2O2 and a molecular weight of 376.79 g/mol. Its IUPAC name is 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyrimidine
PubChem CID167474381
Molecular FormulaC19H15ClF2N2O2
Molecular Weight376.79 g/mol
Exact Mass376.08
IUPAC Name4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyrimidine
SMILESCOc1cc(OC)cc(-c2nc(C)nc(Cl)c2-c2c(F)cccc2F)c1
InChIInChI=1S/C19H15ClF2N2O2/c1-10-23-18(11-7-12(25-2)9-13(8-11)26-3)17(19(20)24-10)16-14(21)5-4-6-15(16)22/h4-9H,1-3H3
InChIKeyKSADPYQGLDSVHB-UHFFFAOYSA-N
XLogP5.07
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.79
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyrimidine?
The IUPAC name of 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyrimidine (CID 167474381) is 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyrimidine?
The canonical SMILES for 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyrimidine is COc1cc(OC)cc(-c2nc(C)nc(Cl)c2-c2c(F)cccc2F)c1.
What is the InChIKey of 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyrimidine?
The InChIKey is KSADPYQGLDSVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O2/c1-10-23-18(11-7-12(25-2)9-13(8-11)26-3)17(19(20)24-10)16-14(21)5-4-6-15(16)22/h4-9H,1-3H3.
What are the key properties of 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyrimidine?
4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyrimidine has a molecular weight of 376.79 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyrimidine is sourced from PubChem (CID 167474381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).