4-fluoro-6-methoxy-N-phenylpyrimidin-2-amine

C11H10FN3O — CID 612817

IUPAC4-fluoro-6-methoxy-N-phenylpyrimidin-2-amine
SMILESCOc1cc(F)nc(Nc2ccccc2)n1
InChIInChI=1S/C11H10FN3O/c1-16-10-7-9(12)14-11(15-10)13-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14,15)
InChIKeyUSYLYVDSBSLITF-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.37
Rot. Bonds3

About 4-fluoro-6-methoxy-N-phenylpyrimidin-2-amine

4-fluoro-6-methoxy-N-phenylpyrimidin-2-amine (PubChem CID 612817) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-fluoro-6-methoxy-N-phenylpyrimidin-2-amine
PubChem CID612817
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name4-fluoro-6-methoxy-N-phenylpyrimidin-2-amine
SMILESCOc1cc(F)nc(Nc2ccccc2)n1
InChIInChI=1S/C11H10FN3O/c1-16-10-7-9(12)14-11(15-10)13-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14,15)
InChIKeyUSYLYVDSBSLITF-UHFFFAOYSA-N
XLogP2.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-fluoro-6-methoxy-N-phenylpyrimidin-2-amine (CID 612817) is 4-fluoro-6-methoxy-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-fluoro-6-methoxy-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-fluoro-6-methoxy-N-phenylpyrimidin-2-amine is COc1cc(F)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-fluoro-6-methoxy-N-phenylpyrimidin-2-amine?
The InChIKey is USYLYVDSBSLITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-16-10-7-9(12)14-11(15-10)13-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14,15).
What are the key properties of 4-fluoro-6-methoxy-N-phenylpyrimidin-2-amine?
4-fluoro-6-methoxy-N-phenylpyrimidin-2-amine has a molecular weight of 219.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 612817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).