5-fluoro-2-(2-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine

C11H11FN4O — CID 39818081

IUPAC5-fluoro-2-(2-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cccnc2OC)ncc1F
InChIInChI=1S/C11H11FN4O/c1-13-10-8(12)6-15-9(16-10)7-4-3-5-14-11(7)17-2/h3-6H,1-2H3,(H,13,15,16)
InChIKeyWPYKZXYEODBVHP-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.73
Rot. Bonds3

About 5-fluoro-2-(2-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine

5-fluoro-2-(2-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine (PubChem CID 39818081) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-fluoro-2-(2-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-(2-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine
PubChem CID39818081
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name5-fluoro-2-(2-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cccnc2OC)ncc1F
InChIInChI=1S/C11H11FN4O/c1-13-10-8(12)6-15-9(16-10)7-4-3-5-14-11(7)17-2/h3-6H,1-2H3,(H,13,15,16)
InChIKeyWPYKZXYEODBVHP-UHFFFAOYSA-N
XLogP1.73
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-(2-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine (CID 39818081) is 5-fluoro-2-(2-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-(2-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-(2-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine is CNc1nc(-c2cccnc2OC)ncc1F.
What is the InChIKey of 5-fluoro-2-(2-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine?
The InChIKey is WPYKZXYEODBVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-13-10-8(12)6-15-9(16-10)7-4-3-5-14-11(7)17-2/h3-6H,1-2H3,(H,13,15,16).
What are the key properties of 5-fluoro-2-(2-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine?
5-fluoro-2-(2-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine has a molecular weight of 234.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 39818081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).