[5-bromo-3-(2,6-difluorophenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methyl-2,4-dihydropyrimidin-5-yl]methanol

C19H17BrF4N2O2 — CID 141127708

IUPAC[5-bromo-3-(2,6-difluorophenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methyl-2,4-dihydropyrimidin-5-yl]methanol
SMILESCC1N=C(OCc2ccc(F)cc2F)C(Br)(CO)CN1c1c(F)cccc1F
InChIInChI=1S/C19H17BrF4N2O2/c1-11-25-18(28-8-12-5-6-13(21)7-16(12)24)19(20,10-27)9-26(11)17-14(22)3-2-4-15(17)23/h2-7,11,27H,8-10H2,1H3
InChIKeyVIMNHECJMGODAT-UHFFFAOYSA-N
MW461.25 g/mol
LogP4.15
Rot. Bonds4

About [5-bromo-3-(2,6-difluorophenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methyl-2,4-dihydropyrimidin-5-yl]methanol

[5-bromo-3-(2,6-difluorophenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methyl-2,4-dihydropyrimidin-5-yl]methanol (PubChem CID 141127708) has the molecular formula C19H17BrF4N2O2 and a molecular weight of 461.25 g/mol. Its IUPAC name is [5-bromo-3-(2,6-difluorophenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methyl-2,4-dihydropyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[5-bromo-3-(2,6-difluorophenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methyl-2,4-dihydropyrimidin-5-yl]methanol
PubChem CID141127708
Molecular FormulaC19H17BrF4N2O2
Molecular Weight461.25 g/mol
Exact Mass460.04
IUPAC Name[5-bromo-3-(2,6-difluorophenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methyl-2,4-dihydropyrimidin-5-yl]methanol
SMILESCC1N=C(OCc2ccc(F)cc2F)C(Br)(CO)CN1c1c(F)cccc1F
InChIInChI=1S/C19H17BrF4N2O2/c1-11-25-18(28-8-12-5-6-13(21)7-16(12)24)19(20,10-27)9-26(11)17-14(22)3-2-4-15(17)23/h2-7,11,27H,8-10H2,1H3
InChIKeyVIMNHECJMGODAT-UHFFFAOYSA-N
XLogP4.15
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.25
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-(2,6-difluorophenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methyl-2,4-dihydropyrimidin-5-yl]methanol?
The IUPAC name of [5-bromo-3-(2,6-difluorophenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methyl-2,4-dihydropyrimidin-5-yl]methanol (CID 141127708) is [5-bromo-3-(2,6-difluorophenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methyl-2,4-dihydropyrimidin-5-yl]methanol.
What is the SMILES notation for [5-bromo-3-(2,6-difluorophenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methyl-2,4-dihydropyrimidin-5-yl]methanol?
The canonical SMILES for [5-bromo-3-(2,6-difluorophenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methyl-2,4-dihydropyrimidin-5-yl]methanol is CC1N=C(OCc2ccc(F)cc2F)C(Br)(CO)CN1c1c(F)cccc1F.
What is the InChIKey of [5-bromo-3-(2,6-difluorophenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methyl-2,4-dihydropyrimidin-5-yl]methanol?
The InChIKey is VIMNHECJMGODAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF4N2O2/c1-11-25-18(28-8-12-5-6-13(21)7-16(12)24)19(20,10-27)9-26(11)17-14(22)3-2-4-15(17)23/h2-7,11,27H,8-10H2,1H3.
What are the key properties of [5-bromo-3-(2,6-difluorophenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methyl-2,4-dihydropyrimidin-5-yl]methanol?
[5-bromo-3-(2,6-difluorophenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methyl-2,4-dihydropyrimidin-5-yl]methanol has a molecular weight of 461.25 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-(2,6-difluorophenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methyl-2,4-dihydropyrimidin-5-yl]methanol is sourced from PubChem (CID 141127708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).