6-fluoro-5-methylpyrimidin-4-amine

C5H6FN3 — CID 44558106

IUPAC6-fluoro-5-methylpyrimidin-4-amine
SMILESCc1c(N)ncnc1F
InChIInChI=1S/C5H6FN3/c1-3-4(6)8-2-9-5(3)7/h2H,1H3,(H2,7,8,9)
InChIKeyPEXNNBPRBIMCKP-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.51
Rot. Bonds

About 6-fluoro-5-methylpyrimidin-4-amine

6-fluoro-5-methylpyrimidin-4-amine (PubChem CID 44558106) has the molecular formula C5H6FN3 and a molecular weight of 127.12 g/mol. Its IUPAC name is 6-fluoro-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-5-methylpyrimidin-4-amine
PubChem CID44558106
Molecular FormulaC5H6FN3
Molecular Weight127.12 g/mol
Exact Mass127.05
IUPAC Name6-fluoro-5-methylpyrimidin-4-amine
SMILESCc1c(N)ncnc1F
InChIInChI=1S/C5H6FN3/c1-3-4(6)8-2-9-5(3)7/h2H,1H3,(H2,7,8,9)
InChIKeyPEXNNBPRBIMCKP-UHFFFAOYSA-N
XLogP0.51
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methylpyrimidin-4-amine?
The IUPAC name of 6-fluoro-5-methylpyrimidin-4-amine (CID 44558106) is 6-fluoro-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-fluoro-5-methylpyrimidin-4-amine is Cc1c(N)ncnc1F.
What is the InChIKey of 6-fluoro-5-methylpyrimidin-4-amine?
The InChIKey is PEXNNBPRBIMCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3/c1-3-4(6)8-2-9-5(3)7/h2H,1H3,(H2,7,8,9).
What are the key properties of 6-fluoro-5-methylpyrimidin-4-amine?
6-fluoro-5-methylpyrimidin-4-amine has a molecular weight of 127.12 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methylpyrimidin-4-amine is sourced from PubChem (CID 44558106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).