5-fluoro-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine

C11H12FN5 — CID 113329095

IUPAC5-fluoro-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccnc(C)n2)nc(C)c1F
InChIInChI=1S/C11H12FN5/c1-6-9(12)11(13-3)17-10(15-6)8-4-5-14-7(2)16-8/h4-5H,1-3H3,(H,13,15,17)
InChIKeyFPXWRVIFWCIDMJ-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.73
Rot. Bonds2

About 5-fluoro-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine

5-fluoro-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine (PubChem CID 113329095) has the molecular formula C11H12FN5 and a molecular weight of 233.25 g/mol. Its IUPAC name is 5-fluoro-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
PubChem CID113329095
Molecular FormulaC11H12FN5
Molecular Weight233.25 g/mol
Exact Mass233.11
IUPAC Name5-fluoro-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccnc(C)n2)nc(C)c1F
InChIInChI=1S/C11H12FN5/c1-6-9(12)11(13-3)17-10(15-6)8-4-5-14-7(2)16-8/h4-5H,1-3H3,(H,13,15,17)
InChIKeyFPXWRVIFWCIDMJ-UHFFFAOYSA-N
XLogP1.73
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
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-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine (CID 113329095) is 5-fluoro-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine is CNc1nc(-c2ccnc(C)n2)nc(C)c1F.
What is the InChIKey of 5-fluoro-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine?
The InChIKey is FPXWRVIFWCIDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5/c1-6-9(12)11(13-3)17-10(15-6)8-4-5-14-7(2)16-8/h4-5H,1-3H3,(H,13,15,17).
What are the key properties of 5-fluoro-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine?
5-fluoro-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine has a molecular weight of 233.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 113329095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).