2-fluoro-5-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyrimidine

C14H13FN2O2 — CID 142614388

IUPAC2-fluoro-5-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyrimidine
SMILESCc1ccc(-c2cnc(F)nc2)c(OC[C@@H]2CO2)c1
InChIInChI=1S/C14H13FN2O2/c1-9-2-3-12(10-5-16-14(15)17-6-10)13(4-9)19-8-11-7-18-11/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyMSYVMYOOKGRUEE-NSHDSACASA-N
MW260.27 g/mol
LogP2.37
Rot. Bonds4

About 2-fluoro-5-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyrimidine

2-fluoro-5-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyrimidine (PubChem CID 142614388) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-fluoro-5-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyrimidine.

Molecular Properties

Compound Name2-fluoro-5-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyrimidine
PubChem CID142614388
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-fluoro-5-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyrimidine
SMILESCc1ccc(-c2cnc(F)nc2)c(OC[C@@H]2CO2)c1
InChIInChI=1S/C14H13FN2O2/c1-9-2-3-12(10-5-16-14(15)17-6-10)13(4-9)19-8-11-7-18-11/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyMSYVMYOOKGRUEE-NSHDSACASA-N
XLogP2.37
TPSA47.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-4-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyridine
CID 142614271
(2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane
CID 142614118
2,5-dimethyl-3-[[(2S)-oxiran-2-yl]methoxy]pyridine
CID 142614191
2-[[4-methyl-2-(3-methylphenyl)phenoxy]methyl]oxirane
CID 168860448
(2S)-2-[(5-fluoro-2-thiophen-3-ylphenoxy)methyl]oxirane
CID 131853368
2-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]benzotriazole
CID 126655961
(2S)-2-[[2-(3-methoxypropyl)-5-methylphenoxy]methyl]oxirane
CID 142614302
2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane
CID 139834073
2-[4-methyl-2-(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)isoindole-1,3-dione
CID 139773417
2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane
CID 129094050
5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine
CID 59790923
4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine
CID 142614400

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyrimidine?
The IUPAC name of 2-fluoro-5-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyrimidine (CID 142614388) is 2-fluoro-5-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyrimidine.
What is the SMILES notation for 2-fluoro-5-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyrimidine?
The canonical SMILES for 2-fluoro-5-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyrimidine is Cc1ccc(-c2cnc(F)nc2)c(OC[C@@H]2CO2)c1.
What is the InChIKey of 2-fluoro-5-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyrimidine?
The InChIKey is MSYVMYOOKGRUEE-NSHDSACASA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-9-2-3-12(10-5-16-14(15)17-6-10)13(4-9)19-8-11-7-18-11/h2-6,11H,7-8H2,1H3/t11-/m0/s1.
What are the key properties of 2-fluoro-5-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyrimidine?
2-fluoro-5-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyrimidine has a molecular weight of 260.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyrimidine is sourced from PubChem (CID 142614388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).