[2-[[5-chloro-1-(2,6-difluorophenyl)-2-methyl-2H-pyrimidin-4-yl]oxymethyl]-5-fluorophenyl]methanamine

C19H17ClF3N3O — CID 141127730

IUPAC[2-[[5-chloro-1-(2,6-difluorophenyl)-2-methyl-2H-pyrimidin-4-yl]oxymethyl]-5-fluorophenyl]methanamine
SMILESCC1N=C(OCc2ccc(F)cc2CN)C(Cl)=CN1c1c(F)cccc1F
InChIInChI=1S/C19H17ClF3N3O/c1-11-25-19(27-10-12-5-6-14(21)7-13(12)8-24)15(20)9-26(11)18-16(22)3-2-4-17(18)23/h2-7,9,11H,8,10,24H2,1H3
InChIKeyHGXJLLBPSHYRTB-UHFFFAOYSA-N
MW395.81 g/mol
LogP4.42
Rot. Bonds4

About [2-[[5-chloro-1-(2,6-difluorophenyl)-2-methyl-2H-pyrimidin-4-yl]oxymethyl]-5-fluorophenyl]methanamine

[2-[[5-chloro-1-(2,6-difluorophenyl)-2-methyl-2H-pyrimidin-4-yl]oxymethyl]-5-fluorophenyl]methanamine (PubChem CID 141127730) has the molecular formula C19H17ClF3N3O and a molecular weight of 395.81 g/mol. Its IUPAC name is [2-[[5-chloro-1-(2,6-difluorophenyl)-2-methyl-2H-pyrimidin-4-yl]oxymethyl]-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[[5-chloro-1-(2,6-difluorophenyl)-2-methyl-2H-pyrimidin-4-yl]oxymethyl]-5-fluorophenyl]methanamine
PubChem CID141127730
Molecular FormulaC19H17ClF3N3O
Molecular Weight395.81 g/mol
Exact Mass395.10
IUPAC Name[2-[[5-chloro-1-(2,6-difluorophenyl)-2-methyl-2H-pyrimidin-4-yl]oxymethyl]-5-fluorophenyl]methanamine
SMILESCC1N=C(OCc2ccc(F)cc2CN)C(Cl)=CN1c1c(F)cccc1F
InChIInChI=1S/C19H17ClF3N3O/c1-11-25-19(27-10-12-5-6-14(21)7-13(12)8-24)15(20)9-26(11)18-16(22)3-2-4-17(18)23/h2-7,9,11H,8,10,24H2,1H3
InChIKeyHGXJLLBPSHYRTB-UHFFFAOYSA-N
XLogP4.42
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.81
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[5-chloro-1-(2,6-difluorophenyl)-2-methyl-2H-pyrimidin-4-yl]oxymethyl]-5-fluorophenyl]methanamine?
The IUPAC name of [2-[[5-chloro-1-(2,6-difluorophenyl)-2-methyl-2H-pyrimidin-4-yl]oxymethyl]-5-fluorophenyl]methanamine (CID 141127730) is [2-[[5-chloro-1-(2,6-difluorophenyl)-2-methyl-2H-pyrimidin-4-yl]oxymethyl]-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-[[5-chloro-1-(2,6-difluorophenyl)-2-methyl-2H-pyrimidin-4-yl]oxymethyl]-5-fluorophenyl]methanamine?
The canonical SMILES for [2-[[5-chloro-1-(2,6-difluorophenyl)-2-methyl-2H-pyrimidin-4-yl]oxymethyl]-5-fluorophenyl]methanamine is CC1N=C(OCc2ccc(F)cc2CN)C(Cl)=CN1c1c(F)cccc1F.
What is the InChIKey of [2-[[5-chloro-1-(2,6-difluorophenyl)-2-methyl-2H-pyrimidin-4-yl]oxymethyl]-5-fluorophenyl]methanamine?
The InChIKey is HGXJLLBPSHYRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O/c1-11-25-19(27-10-12-5-6-14(21)7-13(12)8-24)15(20)9-26(11)18-16(22)3-2-4-17(18)23/h2-7,9,11H,8,10,24H2,1H3.
What are the key properties of [2-[[5-chloro-1-(2,6-difluorophenyl)-2-methyl-2H-pyrimidin-4-yl]oxymethyl]-5-fluorophenyl]methanamine?
[2-[[5-chloro-1-(2,6-difluorophenyl)-2-methyl-2H-pyrimidin-4-yl]oxymethyl]-5-fluorophenyl]methanamine has a molecular weight of 395.81 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-chloro-1-(2,6-difluorophenyl)-2-methyl-2H-pyrimidin-4-yl]oxymethyl]-5-fluorophenyl]methanamine is sourced from PubChem (CID 141127730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).