ethane;5-fluoro-2,4-dimethylpyrimidine;3-methyloxolane;2-methylpyrimidine

C22H41FN4O — CID 144862580

IUPACethane;5-fluoro-2,4-dimethylpyrimidine;3-methyloxolane;2-methylpyrimidine
SMILESCC.CC.CC.CC1CCOC1.Cc1ncc(F)c(C)n1.Cc1ncccn1
InChIInChI=1S/C6H7FN2.C5H6N2.C5H10O.3C2H6/c1-4-6(7)3-8-5(2)9-4;1-5-6-3-2-4-7-5;1-5-2-3-6-4-5;3*1-2/h3H,1-2H3;2-4H,1H3;5H,2-4H2,1H3;3*1-2H3
InChIKeyRWAOWYBIRIDAEG-UHFFFAOYSA-N
MW396.60 g/mol
LogP6.14
Rot. Bonds

About ethane;5-fluoro-2,4-dimethylpyrimidine;3-methyloxolane;2-methylpyrimidine

ethane;5-fluoro-2,4-dimethylpyrimidine;3-methyloxolane;2-methylpyrimidine (PubChem CID 144862580) has the molecular formula C22H41FN4O and a molecular weight of 396.60 g/mol. Its IUPAC name is ethane;5-fluoro-2,4-dimethylpyrimidine;3-methyloxolane;2-methylpyrimidine.

Molecular Properties

Compound Nameethane;5-fluoro-2,4-dimethylpyrimidine;3-methyloxolane;2-methylpyrimidine
PubChem CID144862580
Molecular FormulaC22H41FN4O
Molecular Weight396.60 g/mol
Exact Mass396.33
IUPAC Nameethane;5-fluoro-2,4-dimethylpyrimidine;3-methyloxolane;2-methylpyrimidine
SMILESCC.CC.CC.CC1CCOC1.Cc1ncc(F)c(C)n1.Cc1ncccn1
InChIInChI=1S/C6H7FN2.C5H6N2.C5H10O.3C2H6/c1-4-6(7)3-8-5(2)9-4;1-5-6-3-2-4-7-5;1-5-2-3-6-4-5;3*1-2/h3H,1-2H3;2-4H,1H3;5H,2-4H2,1H3;3*1-2H3
InChIKeyRWAOWYBIRIDAEG-UHFFFAOYSA-N
XLogP6.14
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.60
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;3-methyloxane;2-methylpyrimidine
CID 167576171
(3S)-3-methyloxolane
CID 7857636
ethane;4-methyloxane;3-methyloxolane
CID 170734292
CID 163256129
CID 163256129
methane;methylcyclobutane;3-methyloxolane
CID 160852925
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 61016275
3-methyloxane;3-methyloxetane;3-methyloxolane
CID 159375413
2,4-dimethyl-5-methylsulfanylpyrimidine
CID 15587943
ethane;5-fluoro-2-methyl-4-propan-2-ylpyrimidine
CID 177328154
ethane;1-methyl-4-(oxolan-3-yl)isoquinoline
CID 177329440
ethane;(3S)-3-methyloxane;sulfane
CID 158056662
ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 144625422

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-2,4-dimethylpyrimidine;3-methyloxolane;2-methylpyrimidine?
The IUPAC name of ethane;5-fluoro-2,4-dimethylpyrimidine;3-methyloxolane;2-methylpyrimidine (CID 144862580) is ethane;5-fluoro-2,4-dimethylpyrimidine;3-methyloxolane;2-methylpyrimidine.
What is the SMILES notation for ethane;5-fluoro-2,4-dimethylpyrimidine;3-methyloxolane;2-methylpyrimidine?
The canonical SMILES for ethane;5-fluoro-2,4-dimethylpyrimidine;3-methyloxolane;2-methylpyrimidine is CC.CC.CC.CC1CCOC1.Cc1ncc(F)c(C)n1.Cc1ncccn1.
What is the InChIKey of ethane;5-fluoro-2,4-dimethylpyrimidine;3-methyloxolane;2-methylpyrimidine?
The InChIKey is RWAOWYBIRIDAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2.C5H6N2.C5H10O.3C2H6/c1-4-6(7)3-8-5(2)9-4;1-5-6-3-2-4-7-5;1-5-2-3-6-4-5;3*1-2/h3H,1-2H3;2-4H,1H3;5H,2-4H2,1H3;3*1-2H3.
What are the key properties of ethane;5-fluoro-2,4-dimethylpyrimidine;3-methyloxolane;2-methylpyrimidine?
ethane;5-fluoro-2,4-dimethylpyrimidine;3-methyloxolane;2-methylpyrimidine has a molecular weight of 396.60 g/mol, XLogP of 6.14, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-2,4-dimethylpyrimidine;3-methyloxolane;2-methylpyrimidine is sourced from PubChem (CID 144862580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).