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

C17H13FN4O — CID 174863195

IUPAC2-(6-cyclopropyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine
SMILESFc1c(-c2cncnc2)ccc(C2CC2)c1Oc1ncccn1
InChIInChI=1S/C17H13FN4O/c18-15-13(12-8-19-10-20-9-12)4-5-14(11-2-3-11)16(15)23-17-21-6-1-7-22-17/h1,4-11H,2-3H2
InChIKeySDTOYNRZWOTZDR-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.74
Rot. Bonds4

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

2-(6-cyclopropyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine (PubChem CID 174863195) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is 2-(6-cyclopropyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine.

Molecular Properties

Compound Name2-(6-cyclopropyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine
PubChem CID174863195
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC Name2-(6-cyclopropyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine
SMILESFc1c(-c2cncnc2)ccc(C2CC2)c1Oc1ncccn1
InChIInChI=1S/C17H13FN4O/c18-15-13(12-8-19-10-20-9-12)4-5-14(11-2-3-11)16(15)23-17-21-6-1-7-22-17/h1,4-11H,2-3H2
InChIKeySDTOYNRZWOTZDR-UHFFFAOYSA-N
XLogP3.74
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.74
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
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-[4-cyclobutyl-2-fluoro-3-(6-methoxypyrimidin-4-yl)oxyphenyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 90310759
3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyrazin-2-amine
CID 90310639
5-[4-(cyclohexylmethyl)-2-fluoro-3-pyrimidin-2-yloxyphenyl]pyrazin-2-amine
CID 90310623
5-[4-cyclobutyl-2-fluoro-3-(6-methoxypyrimidin-4-yl)oxyphenyl]-1H-pyrrolo[2,3-b]pyridine
CID 90310668
5-(3-ethyl-2-fluorophenyl)pyrimidine
CID 126670993
5-[2-fluoro-4-(2-pyrimidin-2-yloxyphenyl)phenyl]pyrimidin-2-amine
CID 90314938
3-fluoro-2-pyrimidin-2-yloxyaniline
CID 104832174
5-pyrimidin-5-ylisoquinoline
CID 141337488

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine?
The IUPAC name of 2-(6-cyclopropyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine (CID 174863195) is 2-(6-cyclopropyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine.
What is the SMILES notation for 2-(6-cyclopropyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine?
The canonical SMILES for 2-(6-cyclopropyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine is Fc1c(-c2cncnc2)ccc(C2CC2)c1Oc1ncccn1.
What is the InChIKey of 2-(6-cyclopropyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine?
The InChIKey is SDTOYNRZWOTZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O/c18-15-13(12-8-19-10-20-9-12)4-5-14(11-2-3-11)16(15)23-17-21-6-1-7-22-17/h1,4-11H,2-3H2.
What are the key properties of 2-(6-cyclopropyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine?
2-(6-cyclopropyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine has a molecular weight of 308.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine is sourced from PubChem (CID 174863195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).