[(2S)-1-[2-fluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate

C19H24FN3O3 — CID 175073474

IUPAC[(2S)-1-[2-fluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate
SMILESCc1nccc(-c2ccc(OC[C@](C)(CC(C)C)OC(N)=O)c(F)c2)n1
InChIInChI=1S/C19H24FN3O3/c1-12(2)10-19(4,26-18(21)24)11-25-17-6-5-14(9-15(17)20)16-7-8-22-13(3)23-16/h5-9,12H,10-11H2,1-4H3,(H2,21,24)/t19-/m0/s1
InChIKeyCHENSRPBCJDWGJ-IBGZPJMESA-N
MW361.42 g/mol
LogP3.87
Rot. Bonds7

About [(2S)-1-[2-fluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate

[(2S)-1-[2-fluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate (PubChem CID 175073474) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is [(2S)-1-[2-fluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-1-[2-fluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate
PubChem CID175073474
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name[(2S)-1-[2-fluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate
SMILESCc1nccc(-c2ccc(OC[C@](C)(CC(C)C)OC(N)=O)c(F)c2)n1
InChIInChI=1S/C19H24FN3O3/c1-12(2)10-19(4,26-18(21)24)11-25-17-6-5-14(9-15(17)20)16-7-8-22-13(3)23-16/h5-9,12H,10-11H2,1-4H3,(H2,21,24)/t19-/m0/s1
InChIKeyCHENSRPBCJDWGJ-IBGZPJMESA-N
XLogP3.87
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-fluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate?
The IUPAC name of [(2S)-1-[2-fluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate (CID 175073474) is [(2S)-1-[2-fluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate.
What is the SMILES notation for [(2S)-1-[2-fluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate?
The canonical SMILES for [(2S)-1-[2-fluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate is Cc1nccc(-c2ccc(OC[C@](C)(CC(C)C)OC(N)=O)c(F)c2)n1.
What is the InChIKey of [(2S)-1-[2-fluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate?
The InChIKey is CHENSRPBCJDWGJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-12(2)10-19(4,26-18(21)24)11-25-17-6-5-14(9-15(17)20)16-7-8-22-13(3)23-16/h5-9,12H,10-11H2,1-4H3,(H2,21,24)/t19-/m0/s1.
What are the key properties of [(2S)-1-[2-fluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate?
[(2S)-1-[2-fluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate has a molecular weight of 361.42 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-fluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate is sourced from PubChem (CID 175073474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).