4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]-3,5-difluoro-N,N-dimethylaniline

C20H19F4N3O — CID 141127745

IUPAC4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]-3,5-difluoro-N,N-dimethylaniline
SMILESCC1N=C(OCc2ccc(F)cc2F)C=CN1c1c(F)cc(N(C)C)cc1F
InChIInChI=1S/C20H19F4N3O/c1-12-25-19(28-11-13-4-5-14(21)8-16(13)22)6-7-27(12)20-17(23)9-15(26(2)3)10-18(20)24/h4-10,12H,11H2,1-3H3
InChIKeySRSNHCUEQOCDMT-UHFFFAOYSA-N
MW393.38 g/mol
LogP4.60
Rot. Bonds4

About 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]-3,5-difluoro-N,N-dimethylaniline

4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]-3,5-difluoro-N,N-dimethylaniline (PubChem CID 141127745) has the molecular formula C20H19F4N3O and a molecular weight of 393.38 g/mol. Its IUPAC name is 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]-3,5-difluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]-3,5-difluoro-N,N-dimethylaniline
PubChem CID141127745
Molecular FormulaC20H19F4N3O
Molecular Weight393.38 g/mol
Exact Mass393.15
IUPAC Name4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]-3,5-difluoro-N,N-dimethylaniline
SMILESCC1N=C(OCc2ccc(F)cc2F)C=CN1c1c(F)cc(N(C)C)cc1F
InChIInChI=1S/C20H19F4N3O/c1-12-25-19(28-11-13-4-5-14(21)8-16(13)22)6-7-27(12)20-17(23)9-15(26(2)3)10-18(20)24/h4-10,12H,11H2,1-3H3
InChIKeySRSNHCUEQOCDMT-UHFFFAOYSA-N
XLogP4.60
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]-3,5-difluoro-N,N-dimethylaniline?
The IUPAC name of 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]-3,5-difluoro-N,N-dimethylaniline (CID 141127745) is 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]-3,5-difluoro-N,N-dimethylaniline.
What is the SMILES notation for 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]-3,5-difluoro-N,N-dimethylaniline?
The canonical SMILES for 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]-3,5-difluoro-N,N-dimethylaniline is CC1N=C(OCc2ccc(F)cc2F)C=CN1c1c(F)cc(N(C)C)cc1F.
What is the InChIKey of 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]-3,5-difluoro-N,N-dimethylaniline?
The InChIKey is SRSNHCUEQOCDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O/c1-12-25-19(28-11-13-4-5-14(21)8-16(13)22)6-7-27(12)20-17(23)9-15(26(2)3)10-18(20)24/h4-10,12H,11H2,1-3H3.
What are the key properties of 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]-3,5-difluoro-N,N-dimethylaniline?
4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]-3,5-difluoro-N,N-dimethylaniline has a molecular weight of 393.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]-3,5-difluoro-N,N-dimethylaniline is sourced from PubChem (CID 141127745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).