1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea

C14H16FN5O5S — CID 19377379

IUPAC1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
SMILESCOc1cc(C)nc(NC(=O)NS(=O)(=O)c2cccnc2C(O)CF)n1
InChIInChI=1S/C14H16FN5O5S/c1-8-6-11(25-2)18-13(17-8)19-14(22)20-26(23,24)10-4-3-5-16-12(10)9(21)7-15/h3-6,9,21H,7H2,1-2H3,(H2,17,18,19,20,22)
InChIKeyRPBFYFMKYAPTOY-UHFFFAOYSA-N
MW385.38 g/mol
LogP0.70
Rot. Bonds6

About 1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea

1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea (PubChem CID 19377379) has the molecular formula C14H16FN5O5S and a molecular weight of 385.38 g/mol. Its IUPAC name is 1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
PubChem CID19377379
Molecular FormulaC14H16FN5O5S
Molecular Weight385.38 g/mol
Exact Mass385.09
IUPAC Name1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
SMILESCOc1cc(C)nc(NC(=O)NS(=O)(=O)c2cccnc2C(O)CF)n1
InChIInChI=1S/C14H16FN5O5S/c1-8-6-11(25-2)18-13(17-8)19-14(22)20-26(23,24)10-4-3-5-16-12(10)9(21)7-15/h3-6,9,21H,7H2,1-2H3,(H2,17,18,19,20,22)
InChIKeyRPBFYFMKYAPTOY-UHFFFAOYSA-N
XLogP0.70
TPSA143.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea with MolForge

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Related Compounds

1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea
CID 18934187
1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 14774716
1-[2-(dichloromethyl)phenyl]sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 13364616
1-(4-chloro-6-methoxypyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea
CID 19377403
1-[(2-chloro-3-pyridinyl)sulfonyl]-3-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]urea
CID 88620758
1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea
CID 19377400
1-[2-(2,2-difluoro-1-hydroxyethyl)phenyl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 18934189
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-[2-(1,2-oxazol-5-yl)phenyl]sulfonylurea
CID 13489830
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-(2-prop-2-ynoxyphenyl)sulfonylurea
CID 13472956
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-(2-pyrazol-1-ylphenyl)sulfonylurea
CID 13489833
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea
CID 154343693
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-[(1S,2R)-2-fluoro-1-hydroxypropyl]phenyl]sulfonylurea
CID 101077371

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea?
The IUPAC name of 1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea (CID 19377379) is 1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea.
What is the SMILES notation for 1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea?
The canonical SMILES for 1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea is COc1cc(C)nc(NC(=O)NS(=O)(=O)c2cccnc2C(O)CF)n1.
What is the InChIKey of 1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea?
The InChIKey is RPBFYFMKYAPTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O5S/c1-8-6-11(25-2)18-13(17-8)19-14(22)20-26(23,24)10-4-3-5-16-12(10)9(21)7-15/h3-6,9,21H,7H2,1-2H3,(H2,17,18,19,20,22).
What are the key properties of 1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea?
1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea has a molecular weight of 385.38 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea is sourced from PubChem (CID 19377379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).