2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine

C20H23FN2O — CID 82240269

IUPAC2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCc1ccc(C(C)C)c(Oc2cccc(F)c2C2=NCCCN2)c1
InChIInChI=1S/C20H23FN2O/c1-13(2)15-9-8-14(3)12-18(15)24-17-7-4-6-16(21)19(17)20-22-10-5-11-23-20/h4,6-9,12-13H,5,10-11H2,1-3H3,(H,22,23)
InChIKeyOWPFUFDNQLWPMF-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.79
Rot. Bonds4

About 2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine

2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 82240269) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID82240269
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCc1ccc(C(C)C)c(Oc2cccc(F)c2C2=NCCCN2)c1
InChIInChI=1S/C20H23FN2O/c1-13(2)15-9-8-14(3)12-18(15)24-17-7-4-6-16(21)19(17)20-22-10-5-11-23-20/h4,6-9,12-13H,5,10-11H2,1-3H3,(H,22,23)
InChIKeyOWPFUFDNQLWPMF-UHFFFAOYSA-N
XLogP4.79
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82241523
2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82244851
2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82250230
3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)benzonitrile
CID 43657438
N-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 82248809
2-(2,5-dimethylphenoxy)-6-fluoroaniline
CID 54920394
(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78941581
4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline
CID 66101916
2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen
CID 142160816
1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 64854056
(1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 79001316
1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-N-methylmethanamine
CID 43282865

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine (CID 82240269) is 2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine is Cc1ccc(C(C)C)c(Oc2cccc(F)c2C2=NCCCN2)c1.
What is the InChIKey of 2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is OWPFUFDNQLWPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-13(2)15-9-8-14(3)12-18(15)24-17-7-4-6-16(21)19(17)20-22-10-5-11-23-20/h4,6-9,12-13H,5,10-11H2,1-3H3,(H,22,23).
What are the key properties of 2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine?
2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 326.42 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82240269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).