6-fluoropyrimidin-4-amine

C4H4FN3 — CID 574613

IUPAC6-fluoropyrimidin-4-amine
SMILESNc1cc(F)ncn1
InChIInChI=1S/C4H4FN3/c5-3-1-4(6)8-2-7-3/h1-2H,(H2,6,7,8)
InChIKeyPPUIVMHRKBEYCR-UHFFFAOYSA-N
MW113.09 g/mol
LogP0.20
Rot. Bonds

About 6-fluoropyrimidin-4-amine

6-fluoropyrimidin-4-amine (PubChem CID 574613) has the molecular formula C4H4FN3 and a molecular weight of 113.09 g/mol. Its IUPAC name is 6-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoropyrimidin-4-amine
PubChem CID574613
Molecular FormulaC4H4FN3
Molecular Weight113.09 g/mol
Exact Mass113.04
IUPAC Name6-fluoropyrimidin-4-amine
SMILESNc1cc(F)ncn1
InChIInChI=1S/C4H4FN3/c5-3-1-4(6)8-2-7-3/h1-2H,(H2,6,7,8)
InChIKeyPPUIVMHRKBEYCR-UHFFFAOYSA-N
XLogP0.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.09
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoropyrimidin-4-amine?
The IUPAC name of 6-fluoropyrimidin-4-amine (CID 574613) is 6-fluoropyrimidin-4-amine.
What is the SMILES notation for 6-fluoropyrimidin-4-amine?
The canonical SMILES for 6-fluoropyrimidin-4-amine is Nc1cc(F)ncn1.
What is the InChIKey of 6-fluoropyrimidin-4-amine?
The InChIKey is PPUIVMHRKBEYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3/c5-3-1-4(6)8-2-7-3/h1-2H,(H2,6,7,8).
What are the key properties of 6-fluoropyrimidin-4-amine?
6-fluoropyrimidin-4-amine has a molecular weight of 113.09 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoropyrimidin-4-amine is sourced from PubChem (CID 574613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).