4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine

C11H16FN3O — CID 80872871

IUPAC4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(OC2CCC2)n1
InChIInChI=1S/C11H16FN3O/c1-2-6-13-11-14-7-9(12)10(15-11)16-8-4-3-5-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyXSBJNOGNGZFHCU-UHFFFAOYSA-N
MW225.27 g/mol
LogP2.37
Rot. Bonds5

About 4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine

4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 80872871) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID80872871
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(OC2CCC2)n1
InChIInChI=1S/C11H16FN3O/c1-2-6-13-11-14-7-9(12)10(15-11)16-8-4-3-5-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyXSBJNOGNGZFHCU-UHFFFAOYSA-N
XLogP2.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80870969
5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine
CID 80872902
5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
CID 80869263
5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 80870299
5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine
CID 114342894
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866703
4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 80879085
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 115563063
5-fluoro-4-(2-methylbut-3-yn-2-yloxy)-N-propylpyrimidin-2-amine
CID 113461420
4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 80864481
4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 83237096
5-fluoro-4-N-(2-methoxycyclopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 80817323

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine (CID 80872871) is 4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(OC2CCC2)n1.
What is the InChIKey of 4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is XSBJNOGNGZFHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-2-6-13-11-14-7-9(12)10(15-11)16-8-4-3-5-8/h7-8H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine?
4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 225.27 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80872871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).