6-(5-fluoro-6-methoxy-3-pyridinyl)pyrimidin-4-amine

C10H9FN4O — CID 155440131

IUPAC6-(5-fluoro-6-methoxy-3-pyridinyl)pyrimidin-4-amine
SMILESCOc1ncc(-c2cc(N)ncn2)cc1F
InChIInChI=1S/C10H9FN4O/c1-16-10-7(11)2-6(4-13-10)8-3-9(12)15-5-14-8/h2-5H,1H3,(H2,12,14,15)
InChIKeyDKRWXXUNFYHTAE-UHFFFAOYSA-N
MW220.21 g/mol
LogP1.27
Rot. Bonds2

About 6-(5-fluoro-6-methoxy-3-pyridinyl)pyrimidin-4-amine

6-(5-fluoro-6-methoxy-3-pyridinyl)pyrimidin-4-amine (PubChem CID 155440131) has the molecular formula C10H9FN4O and a molecular weight of 220.21 g/mol. Its IUPAC name is 6-(5-fluoro-6-methoxy-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-fluoro-6-methoxy-3-pyridinyl)pyrimidin-4-amine
PubChem CID155440131
Molecular FormulaC10H9FN4O
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC Name6-(5-fluoro-6-methoxy-3-pyridinyl)pyrimidin-4-amine
SMILESCOc1ncc(-c2cc(N)ncn2)cc1F
InChIInChI=1S/C10H9FN4O/c1-16-10-7(11)2-6(4-13-10)8-3-9(12)15-5-14-8/h2-5H,1H3,(H2,12,14,15)
InChIKeyDKRWXXUNFYHTAE-UHFFFAOYSA-N
XLogP1.27
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-6-methoxy-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 6-(5-fluoro-6-methoxy-3-pyridinyl)pyrimidin-4-amine (CID 155440131) is 6-(5-fluoro-6-methoxy-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(5-fluoro-6-methoxy-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 6-(5-fluoro-6-methoxy-3-pyridinyl)pyrimidin-4-amine is COc1ncc(-c2cc(N)ncn2)cc1F.
What is the InChIKey of 6-(5-fluoro-6-methoxy-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is DKRWXXUNFYHTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O/c1-16-10-7(11)2-6(4-13-10)8-3-9(12)15-5-14-8/h2-5H,1H3,(H2,12,14,15).
What are the key properties of 6-(5-fluoro-6-methoxy-3-pyridinyl)pyrimidin-4-amine?
6-(5-fluoro-6-methoxy-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 220.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-6-methoxy-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 155440131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).