5-fluoro-4-methoxy-N-[(1-propylcyclobutyl)methyl]pyrimidin-2-amine

C13H20FN3O — CID 122559766

IUPAC5-fluoro-4-methoxy-N-[(1-propylcyclobutyl)methyl]pyrimidin-2-amine
SMILESCCCC1(CNc2ncc(F)c(OC)n2)CCC1
InChIInChI=1S/C13H20FN3O/c1-3-5-13(6-4-7-13)9-16-12-15-8-10(14)11(17-12)18-2/h8H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyJUMDZJPZDWTPCW-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.01
Rot. Bonds6

About 5-fluoro-4-methoxy-N-[(1-propylcyclobutyl)methyl]pyrimidin-2-amine

5-fluoro-4-methoxy-N-[(1-propylcyclobutyl)methyl]pyrimidin-2-amine (PubChem CID 122559766) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-[(1-propylcyclobutyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-[(1-propylcyclobutyl)methyl]pyrimidin-2-amine
PubChem CID122559766
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name5-fluoro-4-methoxy-N-[(1-propylcyclobutyl)methyl]pyrimidin-2-amine
SMILESCCCC1(CNc2ncc(F)c(OC)n2)CCC1
InChIInChI=1S/C13H20FN3O/c1-3-5-13(6-4-7-13)9-16-12-15-8-10(14)11(17-12)18-2/h8H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyJUMDZJPZDWTPCW-UHFFFAOYSA-N
XLogP3.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-[(1-propylcyclobutyl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-[(1-propylcyclobutyl)methyl]pyrimidin-2-amine (CID 122559766) is 5-fluoro-4-methoxy-N-[(1-propylcyclobutyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-[(1-propylcyclobutyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-[(1-propylcyclobutyl)methyl]pyrimidin-2-amine is CCCC1(CNc2ncc(F)c(OC)n2)CCC1.
What is the InChIKey of 5-fluoro-4-methoxy-N-[(1-propylcyclobutyl)methyl]pyrimidin-2-amine?
The InChIKey is JUMDZJPZDWTPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-3-5-13(6-4-7-13)9-16-12-15-8-10(14)11(17-12)18-2/h8H,3-7,9H2,1-2H3,(H,15,16,17).
What are the key properties of 5-fluoro-4-methoxy-N-[(1-propylcyclobutyl)methyl]pyrimidin-2-amine?
5-fluoro-4-methoxy-N-[(1-propylcyclobutyl)methyl]pyrimidin-2-amine has a molecular weight of 253.32 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-[(1-propylcyclobutyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 122559766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).