5-fluoro-2-(2-methylpropoxy)pyrimidin-4-amine

C8H12FN3O — CID 130593776

IUPAC5-fluoro-2-(2-methylpropoxy)pyrimidin-4-amine
SMILESCC(C)COc1ncc(F)c(N)n1
InChIInChI=1S/C8H12FN3O/c1-5(2)4-13-8-11-3-6(9)7(10)12-8/h3,5H,4H2,1-2H3,(H2,10,11,12)
InChIKeyVOVGXJLCQREBQJ-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.23
Rot. Bonds3

About 5-fluoro-2-(2-methylpropoxy)pyrimidin-4-amine

5-fluoro-2-(2-methylpropoxy)pyrimidin-4-amine (PubChem CID 130593776) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 5-fluoro-2-(2-methylpropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-(2-methylpropoxy)pyrimidin-4-amine
PubChem CID130593776
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name5-fluoro-2-(2-methylpropoxy)pyrimidin-4-amine
SMILESCC(C)COc1ncc(F)c(N)n1
InChIInChI=1S/C8H12FN3O/c1-5(2)4-13-8-11-3-6(9)7(10)12-8/h3,5H,4H2,1-2H3,(H2,10,11,12)
InChIKeyVOVGXJLCQREBQJ-UHFFFAOYSA-N
XLogP1.23
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropoxy)pyrimidin-5-amine
CID 61146937
5-fluoro-2-(3-phenylpropoxy)pyrimidin-4-amine
CID 59160610
2-(3-amino-3-phenylbutoxy)-5-fluoropyrimidin-4-amine
CID 70990563
2-[2-(N-aminoanilino)ethoxy]-5-fluoropyrimidin-4-amine
CID 118312734
5-iodo-2-(2-methylpropoxy)pyrimidine
CID 116649140
2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine
CID 118311907
5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine
CID 160828403
5-fluoro-2-propan-2-ylsulfanylpyrimidin-4-amine
CID 130593820
1-[2-(2-methylpropoxy)pyrimidin-5-yl]propan-2-amine
CID 83884572
5-fluoro-2-[1-(4-fluorophenyl)ethylideneamino]oxypyrimidin-4-amine
CID 76620561
2-[[3,5-bis[difluoro(phosphanyl)methyl]phenyl]methoxy]-5-fluoropyrimidin-4-amine
CID 162564064
5-fluoro-2-[(E)-(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine
CID 58318914

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methylpropoxy)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-(2-methylpropoxy)pyrimidin-4-amine (CID 130593776) is 5-fluoro-2-(2-methylpropoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-(2-methylpropoxy)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-(2-methylpropoxy)pyrimidin-4-amine is CC(C)COc1ncc(F)c(N)n1.
What is the InChIKey of 5-fluoro-2-(2-methylpropoxy)pyrimidin-4-amine?
The InChIKey is VOVGXJLCQREBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-5(2)4-13-8-11-3-6(9)7(10)12-8/h3,5H,4H2,1-2H3,(H2,10,11,12).
What are the key properties of 5-fluoro-2-(2-methylpropoxy)pyrimidin-4-amine?
5-fluoro-2-(2-methylpropoxy)pyrimidin-4-amine has a molecular weight of 185.20 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methylpropoxy)pyrimidin-4-amine is sourced from PubChem (CID 130593776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).