5-cyclopropyl-2-[3-(trifluoromethyl)phenoxy]pyrimidine

C14H11F3N2O — CID 146107536

IUPAC5-cyclopropyl-2-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2ncc(C3CC3)cn2)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)11-2-1-3-12(6-11)20-13-18-7-10(8-19-13)9-4-5-9/h1-3,6-9H,4-5H2
InChIKeyHCZNQKZKOLLBPR-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.17
Rot. Bonds3

About 5-cyclopropyl-2-[3-(trifluoromethyl)phenoxy]pyrimidine

5-cyclopropyl-2-[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 146107536) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 5-cyclopropyl-2-[3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name5-cyclopropyl-2-[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID146107536
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name5-cyclopropyl-2-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2ncc(C3CC3)cn2)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)11-2-1-3-12(6-11)20-13-18-7-10(8-19-13)9-4-5-9/h1-3,6-9H,4-5H2
InChIKeyHCZNQKZKOLLBPR-UHFFFAOYSA-N
XLogP4.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(+-)-Ancymidol
CID 25572
Flurprimidol
CID 73668
2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
CID 88462
4-(Pyrimidin-2-yloxy)benzonitrile
CID 901072
2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile
CID 2764393
2,4-Diamino-5-[4-trifluoromethoxybenzyl]pyrimidine
CID 625108
2,4-Diamino-5-[3-trifluoromethyl-4-methoxybenzyl]pyrimidine
CID 626825
5-(3-Ethoxy-benzyl)-pyrimidine-2,4-diamine
CID 10634047
Pyrimidine, 2,4-diamino-5-(m-(trifluoromethoxy)benzyl)-
CID 625021
5-(4-Chlorophenyl)-2-(3-methylphenoxy)pyrimidine
CID 1472454
5-(3-Octyloxy-benzyl)-pyrimidine-2,4-diamine
CID 10019413

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 5-cyclopropyl-2-[3-(trifluoromethyl)phenoxy]pyrimidine (CID 146107536) is 5-cyclopropyl-2-[3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 5-cyclopropyl-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 5-cyclopropyl-2-[3-(trifluoromethyl)phenoxy]pyrimidine is FC(F)(F)c1cccc(Oc2ncc(C3CC3)cn2)c1.
What is the InChIKey of 5-cyclopropyl-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is HCZNQKZKOLLBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)11-2-1-3-12(6-11)20-13-18-7-10(8-19-13)9-4-5-9/h1-3,6-9H,4-5H2.
What are the key properties of 5-cyclopropyl-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
5-cyclopropyl-2-[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 280.25 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 146107536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).