5-chloro-2-fluoropyrimidin-4-amine

C4H3ClFN3 — CID 590135

IUPAC5-chloro-2-fluoropyrimidin-4-amine
SMILESNc1nc(F)ncc1Cl
InChIInChI=1S/C4H3ClFN3/c5-2-1-8-4(6)9-3(2)7/h1H,(H2,7,8,9)
InChIKeyGQMUSPJIDCLALP-UHFFFAOYSA-N
MW147.54 g/mol
LogP0.85
Rot. Bonds

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

5-chloro-2-fluoropyrimidin-4-amine (PubChem CID 590135) has the molecular formula C4H3ClFN3 and a molecular weight of 147.54 g/mol. Its IUPAC name is 5-chloro-2-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-fluoropyrimidin-4-amine
PubChem CID590135
Molecular FormulaC4H3ClFN3
Molecular Weight147.54 g/mol
Exact Mass147.00
IUPAC Name5-chloro-2-fluoropyrimidin-4-amine
SMILESNc1nc(F)ncc1Cl
InChIInChI=1S/C4H3ClFN3/c5-2-1-8-4(6)9-3(2)7/h1H,(H2,7,8,9)
InChIKeyGQMUSPJIDCLALP-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 5-chloro-2-fluoropyrimidin-4-amine?
The IUPAC name of 5-chloro-2-fluoropyrimidin-4-amine (CID 590135) is 5-chloro-2-fluoropyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-fluoropyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-fluoropyrimidin-4-amine is Nc1nc(F)ncc1Cl.
What is the InChIKey of 5-chloro-2-fluoropyrimidin-4-amine?
The InChIKey is GQMUSPJIDCLALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClFN3/c5-2-1-8-4(6)9-3(2)7/h1H,(H2,7,8,9).
What are the key properties of 5-chloro-2-fluoropyrimidin-4-amine?
5-chloro-2-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 5-chloro-2-fluoropyrimidin-4-amine is sourced from PubChem (CID 590135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).