4-ethoxy-5-fluoro-2-(2-methylpropoxy)pyrimidine

C10H15FN2O2 — CID 140984016

IUPAC4-ethoxy-5-fluoro-2-(2-methylpropoxy)pyrimidine
SMILESCCOc1nc(OCC(C)C)ncc1F
InChIInChI=1S/C10H15FN2O2/c1-4-14-9-8(11)5-12-10(13-9)15-6-7(2)3/h5,7H,4,6H2,1-3H3
InChIKeyYDUPQYXRCCHWIO-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.05
Rot. Bonds5

About 4-ethoxy-5-fluoro-2-(2-methylpropoxy)pyrimidine

4-ethoxy-5-fluoro-2-(2-methylpropoxy)pyrimidine (PubChem CID 140984016) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-(2-methylpropoxy)pyrimidine.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-(2-methylpropoxy)pyrimidine
PubChem CID140984016
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name4-ethoxy-5-fluoro-2-(2-methylpropoxy)pyrimidine
SMILESCCOc1nc(OCC(C)C)ncc1F
InChIInChI=1S/C10H15FN2O2/c1-4-14-9-8(11)5-12-10(13-9)15-6-7(2)3/h5,7H,4,6H2,1-3H3
InChIKeyYDUPQYXRCCHWIO-UHFFFAOYSA-N
XLogP2.05
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
5-Methyl-4-(neopentyloxy)pyrimidin-2-amine
CID 122516792
3-((2-Amino-5-methylpyrimidin-4-yl)oxy)-2,2-dimethylpropan-1-ol
CID 122516793
5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine
CID 818851
5-Iodo-2,4-dimethoxypyrimidine
CID 263416
2,4-Dimethoxy-5-methylpyrimidine
CID 579948
4-(2,2-Dimethylpropoxy)pyrimidin-2-amine
CID 122536474
Bis-Pro-5FU
CID 155118873
2,4-Diethoxypyrimidine
CID 224854
(2,4-Dimethoxypyrimidin-5-yl)boronic acid
CID 2736209
2-Chloro-5-fluoro-4-methoxypyrimidine
CID 13530704
5-Fluoro-2,4-dimethoxypyrimidine
CID 268774

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-(2-methylpropoxy)pyrimidine?
The IUPAC name of 4-ethoxy-5-fluoro-2-(2-methylpropoxy)pyrimidine (CID 140984016) is 4-ethoxy-5-fluoro-2-(2-methylpropoxy)pyrimidine.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-(2-methylpropoxy)pyrimidine?
The canonical SMILES for 4-ethoxy-5-fluoro-2-(2-methylpropoxy)pyrimidine is CCOc1nc(OCC(C)C)ncc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-(2-methylpropoxy)pyrimidine?
The InChIKey is YDUPQYXRCCHWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-4-14-9-8(11)5-12-10(13-9)15-6-7(2)3/h5,7H,4,6H2,1-3H3.
What are the key properties of 4-ethoxy-5-fluoro-2-(2-methylpropoxy)pyrimidine?
4-ethoxy-5-fluoro-2-(2-methylpropoxy)pyrimidine has a molecular weight of 214.24 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-2-(2-methylpropoxy)pyrimidine is sourced from PubChem (CID 140984016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).