2-(fluoromethyl)pyrimidin-5-amine

C5H6FN3 — CID 105427299

IUPAC2-(fluoromethyl)pyrimidin-5-amine
SMILESNc1cnc(CF)nc1
InChIInChI=1S/C5H6FN3/c6-1-5-8-2-4(7)3-9-5/h2-3H,1,7H2
InChIKeyFTVXQEVFVXHBMB-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.53
Rot. Bonds1

About 2-(fluoromethyl)pyrimidin-5-amine

2-(fluoromethyl)pyrimidin-5-amine (PubChem CID 105427299) has the molecular formula C5H6FN3 and a molecular weight of 127.12 g/mol. Its IUPAC name is 2-(fluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(fluoromethyl)pyrimidin-5-amine
PubChem CID105427299
Molecular FormulaC5H6FN3
Molecular Weight127.12 g/mol
Exact Mass127.05
IUPAC Name2-(fluoromethyl)pyrimidin-5-amine
SMILESNc1cnc(CF)nc1
InChIInChI=1S/C5H6FN3/c6-1-5-8-2-4(7)3-9-5/h2-3H,1,7H2
InChIKeyFTVXQEVFVXHBMB-UHFFFAOYSA-N
XLogP0.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)pyrimidin-5-amine?
The IUPAC name of 2-(fluoromethyl)pyrimidin-5-amine (CID 105427299) is 2-(fluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(fluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 2-(fluoromethyl)pyrimidin-5-amine is Nc1cnc(CF)nc1.
What is the InChIKey of 2-(fluoromethyl)pyrimidin-5-amine?
The InChIKey is FTVXQEVFVXHBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3/c6-1-5-8-2-4(7)3-9-5/h2-3H,1,7H2.
What are the key properties of 2-(fluoromethyl)pyrimidin-5-amine?
2-(fluoromethyl)pyrimidin-5-amine has a molecular weight of 127.12 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 105427299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).