4-chloro-5-fluoropyrimidin-2-amine

C4H3ClFN3 — CID 590134

IUPAC4-chloro-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Cl)n1
InChIInChI=1S/C4H3ClFN3/c5-3-2(6)1-8-4(7)9-3/h1H,(H2,7,8,9)
InChIKeyJJSZXRDRSOBWAD-UHFFFAOYSA-N
MW147.54 g/mol
LogP0.85
Rot. Bonds

About 4-chloro-5-fluoropyrimidin-2-amine

4-chloro-5-fluoropyrimidin-2-amine (PubChem CID 590134) has the molecular formula C4H3ClFN3 and a molecular weight of 147.54 g/mol. Its IUPAC name is 4-chloro-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-fluoropyrimidin-2-amine
PubChem CID590134
Molecular FormulaC4H3ClFN3
Molecular Weight147.54 g/mol
Exact Mass147.00
IUPAC Name4-chloro-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Cl)n1
InChIInChI=1S/C4H3ClFN3/c5-3-2(6)1-8-4(7)9-3/h1H,(H2,7,8,9)
InChIKeyJJSZXRDRSOBWAD-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 4-chloro-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-chloro-5-fluoropyrimidin-2-amine (CID 590134) is 4-chloro-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(Cl)n1.
What is the InChIKey of 4-chloro-5-fluoropyrimidin-2-amine?
The InChIKey is JJSZXRDRSOBWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClFN3/c5-3-2(6)1-8-4(7)9-3/h1H,(H2,7,8,9).
What are the key properties of 4-chloro-5-fluoropyrimidin-2-amine?
4-chloro-5-fluoropyrimidin-2-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 4-chloro-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 590134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).