5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-[1-(2-hydroxy-2-methylpropanoyl)pyrazol-4-yl]-2-methylpyrimidin-4-one

C19H17ClF2N4O4 — CID 21089871

IUPAC5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-[1-(2-hydroxy-2-methylpropanoyl)pyrazol-4-yl]-2-methylpyrimidin-4-one
SMILESCc1nc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1cnn(C(=O)C(C)(C)O)c1
InChIInChI=1S/C19H17ClF2N4O4/c1-10-24-16(30-9-11-4-5-12(21)6-14(11)22)15(20)17(27)26(10)13-7-23-25(8-13)18(28)19(2,3)29/h4-8,29H,9H2,1-3H3
InChIKeyLAROMVSUPVSCEM-UHFFFAOYSA-N
MW438.82 g/mol
LogP2.66
Rot. Bonds5

About 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-[1-(2-hydroxy-2-methylpropanoyl)pyrazol-4-yl]-2-methylpyrimidin-4-one

5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-[1-(2-hydroxy-2-methylpropanoyl)pyrazol-4-yl]-2-methylpyrimidin-4-one (PubChem CID 21089871) has the molecular formula C19H17ClF2N4O4 and a molecular weight of 438.82 g/mol. Its IUPAC name is 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-[1-(2-hydroxy-2-methylpropanoyl)pyrazol-4-yl]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-[1-(2-hydroxy-2-methylpropanoyl)pyrazol-4-yl]-2-methylpyrimidin-4-one
PubChem CID21089871
Molecular FormulaC19H17ClF2N4O4
Molecular Weight438.82 g/mol
Exact Mass438.09
IUPAC Name5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-[1-(2-hydroxy-2-methylpropanoyl)pyrazol-4-yl]-2-methylpyrimidin-4-one
SMILESCc1nc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1cnn(C(=O)C(C)(C)O)c1
InChIInChI=1S/C19H17ClF2N4O4/c1-10-24-16(30-9-11-4-5-12(21)6-14(11)22)15(20)17(27)26(10)13-7-23-25(8-13)18(28)19(2,3)29/h4-8,29H,9H2,1-3H3
InChIKeyLAROMVSUPVSCEM-UHFFFAOYSA-N
XLogP2.66
TPSA99.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.82
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-[3-(2-hydroxyacetyl)-1-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazol-5-yl]-2-methylpyrimidin-4-one
CID 21090001
3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[1-(3-hydroxypropanoyl)pyrazol-4-yl]-6-methylpyridin-2-one
CID 22050963
3-[3,5-bis(2-hydroxypropan-2-yl)phenyl]-5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089160
2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]acetamide
CID 143212794
3-[1-acetyl-3-[2-(methylamino)acetyl]-2H-benzimidazol-5-yl]-5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089131
3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-2-(prop-2-enylamino)pyrimidin-1-yl]-4-methylbenzoic acid
CID 21089150
N-[[4-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]phenyl]methyl]-2-hydroxyacetamide
CID 21090291
3-[1-acetyl-3-(3-hydroxy-2-methylbutanoyl)-2H-benzimidazol-5-yl]-5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089124
3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]propanoic acid
CID 69420633
3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide
CID 21089299
1-[4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]pyrazol-1-yl]-2-hydroxyethanone
CID 141127732
4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]pentanamide
CID 90745625

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-[1-(2-hydroxy-2-methylpropanoyl)pyrazol-4-yl]-2-methylpyrimidin-4-one?
The IUPAC name of 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-[1-(2-hydroxy-2-methylpropanoyl)pyrazol-4-yl]-2-methylpyrimidin-4-one (CID 21089871) is 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-[1-(2-hydroxy-2-methylpropanoyl)pyrazol-4-yl]-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-[1-(2-hydroxy-2-methylpropanoyl)pyrazol-4-yl]-2-methylpyrimidin-4-one?
The canonical SMILES for 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-[1-(2-hydroxy-2-methylpropanoyl)pyrazol-4-yl]-2-methylpyrimidin-4-one is Cc1nc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1cnn(C(=O)C(C)(C)O)c1.
What is the InChIKey of 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-[1-(2-hydroxy-2-methylpropanoyl)pyrazol-4-yl]-2-methylpyrimidin-4-one?
The InChIKey is LAROMVSUPVSCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N4O4/c1-10-24-16(30-9-11-4-5-12(21)6-14(11)22)15(20)17(27)26(10)13-7-23-25(8-13)18(28)19(2,3)29/h4-8,29H,9H2,1-3H3.
What are the key properties of 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-[1-(2-hydroxy-2-methylpropanoyl)pyrazol-4-yl]-2-methylpyrimidin-4-one?
5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-[1-(2-hydroxy-2-methylpropanoyl)pyrazol-4-yl]-2-methylpyrimidin-4-one has a molecular weight of 438.82 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-[1-(2-hydroxy-2-methylpropanoyl)pyrazol-4-yl]-2-methylpyrimidin-4-one is sourced from PubChem (CID 21089871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).