6-chloro-5-fluoropyrimidin-4-amine

C4H3ClFN3 — CID 53487969

IUPAC6-chloro-5-fluoropyrimidin-4-amine
SMILESNc1ncnc(Cl)c1F
InChIInChI=1S/C4H3ClFN3/c5-3-2(6)4(7)9-1-8-3/h1H,(H2,7,8,9)
InChIKeyFEIFDRDCVMVUJA-UHFFFAOYSA-N
MW147.54 g/mol
LogP0.85
Rot. Bonds

About 6-chloro-5-fluoropyrimidin-4-amine

6-chloro-5-fluoropyrimidin-4-amine (PubChem CID 53487969) has the molecular formula C4H3ClFN3 and a molecular weight of 147.54 g/mol. Its IUPAC name is 6-chloro-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-fluoropyrimidin-4-amine
PubChem CID53487969
Molecular FormulaC4H3ClFN3
Molecular Weight147.54 g/mol
Exact Mass147.00
IUPAC Name6-chloro-5-fluoropyrimidin-4-amine
SMILESNc1ncnc(Cl)c1F
InChIInChI=1S/C4H3ClFN3/c5-3-2(6)4(7)9-1-8-3/h1H,(H2,7,8,9)
InChIKeyFEIFDRDCVMVUJA-UHFFFAOYSA-N
XLogP0.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.54
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoropyrimidin-4-amine?
The IUPAC name of 6-chloro-5-fluoropyrimidin-4-amine (CID 53487969) is 6-chloro-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-fluoropyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-fluoropyrimidin-4-amine is Nc1ncnc(Cl)c1F.
What is the InChIKey of 6-chloro-5-fluoropyrimidin-4-amine?
The InChIKey is FEIFDRDCVMVUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClFN3/c5-3-2(6)4(7)9-1-8-3/h1H,(H2,7,8,9).
What are the key properties of 6-chloro-5-fluoropyrimidin-4-amine?
6-chloro-5-fluoropyrimidin-4-amine has a molecular weight of 147.54 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 53487969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).