2-(6-cyclohexyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine

C20H19FN4O — CID 174863199

IUPAC2-(6-cyclohexyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine
SMILESFc1c(-c2cncnc2)ccc(C2CCCCC2)c1Oc1ncccn1
InChIInChI=1S/C20H19FN4O/c21-18-16(15-11-22-13-23-12-15)7-8-17(14-5-2-1-3-6-14)19(18)26-20-24-9-4-10-25-20/h4,7-14H,1-3,5-6H2
InChIKeyRZSMORRIWUNJRC-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.91
Rot. Bonds4

About 2-(6-cyclohexyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine

2-(6-cyclohexyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine (PubChem CID 174863199) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(6-cyclohexyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine.

Molecular Properties

Compound Name2-(6-cyclohexyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine
PubChem CID174863199
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name2-(6-cyclohexyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine
SMILESFc1c(-c2cncnc2)ccc(C2CCCCC2)c1Oc1ncccn1
InChIInChI=1S/C20H19FN4O/c21-18-16(15-11-22-13-23-12-15)7-8-17(14-5-2-1-3-6-14)19(18)26-20-24-9-4-10-25-20/h4,7-14H,1-3,5-6H2
InChIKeyRZSMORRIWUNJRC-UHFFFAOYSA-N
XLogP4.91
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-cyclopropyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine
CID 174863195
5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-4-methylpyrimidine
CID 174863197
5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridine-2,3-diamine
CID 90310686
5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 151009318
5-cyclohexyl-8-fluoroquinoline
CID 175210873
5-[4-(cyclohexylmethyl)-2-fluoro-3-pyrimidin-2-yloxyphenyl]pyrazin-2-amine
CID 90310623
3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyrazin-2-amine
CID 90310639
5-[4-cyclobutyl-2-fluoro-3-(6-methoxypyrimidin-4-yl)oxyphenyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 90310759
5-[4-cyclobutyl-2-fluoro-3-[5-(trifluoromethyl)pyrimidin-1-ium-2-yl]oxyphenyl]pyridin-2-amine
CID 151475050
5-[4-cyclobutyl-2-fluoro-3-(6-methoxypyrimidin-4-yl)oxyphenyl]-1H-pyrrolo[2,3-b]pyridine
CID 90310668
2-[6-cyclobutyl-2-fluoro-3-(7H-pyrrolo[3,2-c]pyridazin-3-yl)phenoxy]pyrimidin-4-amine
CID 142800600
6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine
CID 90310811

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclohexyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine?
The IUPAC name of 2-(6-cyclohexyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine (CID 174863199) is 2-(6-cyclohexyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine.
What is the SMILES notation for 2-(6-cyclohexyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine?
The canonical SMILES for 2-(6-cyclohexyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine is Fc1c(-c2cncnc2)ccc(C2CCCCC2)c1Oc1ncccn1.
What is the InChIKey of 2-(6-cyclohexyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine?
The InChIKey is RZSMORRIWUNJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-18-16(15-11-22-13-23-12-15)7-8-17(14-5-2-1-3-6-14)19(18)26-20-24-9-4-10-25-20/h4,7-14H,1-3,5-6H2.
What are the key properties of 2-(6-cyclohexyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine?
2-(6-cyclohexyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine has a molecular weight of 350.40 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclohexyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine is sourced from PubChem (CID 174863199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).