5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-4-methylpyrimidine

C19H17FN4O — CID 174863197

IUPAC5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-4-methylpyrimidine
SMILESCc1ncncc1-c1ccc(C2CCC2)c(Oc2ncccn2)c1F
InChIInChI=1S/C19H17FN4O/c1-12-16(10-21-11-24-12)15-7-6-14(13-4-2-5-13)18(17(15)20)25-19-22-8-3-9-23-19/h3,6-11,13H,2,4-5H2,1H3
InChIKeyPCSNENQORLRLJX-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.44
Rot. Bonds4

About 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-4-methylpyrimidine

5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-4-methylpyrimidine (PubChem CID 174863197) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-4-methylpyrimidine.

Molecular Properties

Compound Name5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-4-methylpyrimidine
PubChem CID174863197
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-4-methylpyrimidine
SMILESCc1ncncc1-c1ccc(C2CCC2)c(Oc2ncccn2)c1F
InChIInChI=1S/C19H17FN4O/c1-12-16(10-21-11-24-12)15-7-6-14(13-4-2-5-13)18(17(15)20)25-19-22-8-3-9-23-19/h3,6-11,13H,2,4-5H2,1H3
InChIKeyPCSNENQORLRLJX-UHFFFAOYSA-N
XLogP4.44
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-cyclohexyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine
CID 174863199
2-(6-cyclopropyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine
CID 174863195
5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridine-2,3-diamine
CID 90310686
azane;5-[4-cyclobutyl-2-fluoro-3-(2,5,6-trimethylpyrimidin-4-yl)oxyphenyl]pyrazin-2-amine
CID 90319719
6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine
CID 90310811
2-[6-cyclobutyl-2-fluoro-3-(7H-pyrrolo[3,2-c]pyridazin-3-yl)phenoxy]pyrimidin-4-amine
CID 142800600
3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyrazin-2-amine
CID 90310639
5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 151009318
5-[4-cyclobutyl-2-fluoro-3-(6-methoxypyrimidin-4-yl)oxyphenyl]-1H-pyrrolo[2,3-b]pyridine
CID 90310668
4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-6-(methoxymethyl)pyrimidin-2-amine
CID 90310859
5-(4-cyclobutyl-2-fluoro-3-methoxyphenyl)-1-fluoropyrrolo[2,3-b]pyridine;ethane
CID 144679020
4-[4-cyclobutyl-2-fluoro-3-(6-methoxypyrimidin-4-yl)oxyphenyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 90310654

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-4-methylpyrimidine?
The IUPAC name of 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-4-methylpyrimidine (CID 174863197) is 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-4-methylpyrimidine.
What is the SMILES notation for 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-4-methylpyrimidine?
The canonical SMILES for 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-4-methylpyrimidine is Cc1ncncc1-c1ccc(C2CCC2)c(Oc2ncccn2)c1F.
What is the InChIKey of 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-4-methylpyrimidine?
The InChIKey is PCSNENQORLRLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-12-16(10-21-11-24-12)15-7-6-14(13-4-2-5-13)18(17(15)20)25-19-22-8-3-9-23-19/h3,6-11,13H,2,4-5H2,1H3.
What are the key properties of 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-4-methylpyrimidine?
5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-4-methylpyrimidine has a molecular weight of 336.37 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-4-methylpyrimidine is sourced from PubChem (CID 174863197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).