5-fluoro-2-methoxy-N-(1-methoxypropyl)pyrimidin-4-amine

C9H14FN3O2 — CID 163778917

IUPAC5-fluoro-2-methoxy-N-(1-methoxypropyl)pyrimidin-4-amine
SMILESCCC(Nc1nc(OC)ncc1F)OC
InChIInChI=1S/C9H14FN3O2/c1-4-7(14-2)12-8-6(10)5-11-9(13-8)15-3/h5,7H,4H2,1-3H3,(H,11,12,13)
InChIKeyMMXCMAWHHDCSLT-UHFFFAOYSA-N
MW215.23 g/mol
LogP1.42
Rot. Bonds5

About 5-fluoro-2-methoxy-N-(1-methoxypropyl)pyrimidin-4-amine

5-fluoro-2-methoxy-N-(1-methoxypropyl)pyrimidin-4-amine (PubChem CID 163778917) has the molecular formula C9H14FN3O2 and a molecular weight of 215.23 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-(1-methoxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-(1-methoxypropyl)pyrimidin-4-amine
PubChem CID163778917
Molecular FormulaC9H14FN3O2
Molecular Weight215.23 g/mol
Exact Mass215.11
IUPAC Name5-fluoro-2-methoxy-N-(1-methoxypropyl)pyrimidin-4-amine
SMILESCCC(Nc1nc(OC)ncc1F)OC
InChIInChI=1S/C9H14FN3O2/c1-4-7(14-2)12-8-6(10)5-11-9(13-8)15-3/h5,7H,4H2,1-3H3,(H,11,12,13)
InChIKeyMMXCMAWHHDCSLT-UHFFFAOYSA-N
XLogP1.42
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-(1-methoxypropyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-methoxy-N-(1-methoxypropyl)pyrimidin-4-amine (CID 163778917) is 5-fluoro-2-methoxy-N-(1-methoxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-methoxy-N-(1-methoxypropyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-methoxy-N-(1-methoxypropyl)pyrimidin-4-amine is CCC(Nc1nc(OC)ncc1F)OC.
What is the InChIKey of 5-fluoro-2-methoxy-N-(1-methoxypropyl)pyrimidin-4-amine?
The InChIKey is MMXCMAWHHDCSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2/c1-4-7(14-2)12-8-6(10)5-11-9(13-8)15-3/h5,7H,4H2,1-3H3,(H,11,12,13).
What are the key properties of 5-fluoro-2-methoxy-N-(1-methoxypropyl)pyrimidin-4-amine?
5-fluoro-2-methoxy-N-(1-methoxypropyl)pyrimidin-4-amine has a molecular weight of 215.23 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-(1-methoxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 163778917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).