5-fluoro-4-propan-2-yloxypyrimidine

C7H9FN2O — CID 23198187

IUPAC5-fluoro-4-propan-2-yloxypyrimidine
SMILESCC(C)Oc1ncncc1F
InChIInChI=1S/C7H9FN2O/c1-5(2)11-7-6(8)3-9-4-10-7/h3-5H,1-2H3
InChIKeyXSJBOYDSMHNDRH-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.40
Rot. Bonds2

About 5-fluoro-4-propan-2-yloxypyrimidine

5-fluoro-4-propan-2-yloxypyrimidine (PubChem CID 23198187) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 5-fluoro-4-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name5-fluoro-4-propan-2-yloxypyrimidine
PubChem CID23198187
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name5-fluoro-4-propan-2-yloxypyrimidine
SMILESCC(C)Oc1ncncc1F
InChIInChI=1S/C7H9FN2O/c1-5(2)11-7-6(8)3-9-4-10-7/h3-5H,1-2H3
InChIKeyXSJBOYDSMHNDRH-UHFFFAOYSA-N
XLogP1.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
5-Methyl-4-(neopentyloxy)pyrimidin-2-amine
CID 122516792
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
5-Bromo-4-methoxypyrimidine
CID 12270081
4-(2,2-Dimethylpropoxy)pyrimidin-2-amine
CID 122536474
(2,4-Dimethoxypyrimidin-5-yl)boronic acid
CID 2736209
2-Fluoro-4-methoxypyrimidine
CID 21791027
Bis-Pro-5FU
CID 155118873
2,4-Diethoxypyrimidine
CID 224854
2-Chloro-5-fluoro-4-methoxypyrimidine
CID 13530704

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-propan-2-yloxypyrimidine?
The IUPAC name of 5-fluoro-4-propan-2-yloxypyrimidine (CID 23198187) is 5-fluoro-4-propan-2-yloxypyrimidine.
What is the SMILES notation for 5-fluoro-4-propan-2-yloxypyrimidine?
The canonical SMILES for 5-fluoro-4-propan-2-yloxypyrimidine is CC(C)Oc1ncncc1F.
What is the InChIKey of 5-fluoro-4-propan-2-yloxypyrimidine?
The InChIKey is XSJBOYDSMHNDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-5(2)11-7-6(8)3-9-4-10-7/h3-5H,1-2H3.
What are the key properties of 5-fluoro-4-propan-2-yloxypyrimidine?
5-fluoro-4-propan-2-yloxypyrimidine has a molecular weight of 156.16 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-propan-2-yloxypyrimidine is sourced from PubChem (CID 23198187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).