6-chloro-N-ethyl-5-fluoropyrimidin-4-amine

C6H7ClFN3 — CID 87243734

IUPAC6-chloro-N-ethyl-5-fluoropyrimidin-4-amine
SMILESCCNc1ncnc(Cl)c1F
InChIInChI=1S/C6H7ClFN3/c1-2-9-6-4(8)5(7)10-3-11-6/h3H,2H2,1H3,(H,9,10,11)
InChIKeyOYNDVCUYJFQLDT-UHFFFAOYSA-N
MW175.59 g/mol
LogP1.70
Rot. Bonds2

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

6-chloro-N-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 87243734) has the molecular formula C6H7ClFN3 and a molecular weight of 175.59 g/mol. Its IUPAC name is 6-chloro-N-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-5-fluoropyrimidin-4-amine
PubChem CID87243734
Molecular FormulaC6H7ClFN3
Molecular Weight175.59 g/mol
Exact Mass175.03
IUPAC Name6-chloro-N-ethyl-5-fluoropyrimidin-4-amine
SMILESCCNc1ncnc(Cl)c1F
InChIInChI=1S/C6H7ClFN3/c1-2-9-6-4(8)5(7)10-3-11-6/h3H,2H2,1H3,(H,9,10,11)
InChIKeyOYNDVCUYJFQLDT-UHFFFAOYSA-N
XLogP1.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.59
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-5-fluoropyrimidin-4-amine (CID 87243734) is 6-chloro-N-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-5-fluoropyrimidin-4-amine is CCNc1ncnc(Cl)c1F.
What is the InChIKey of 6-chloro-N-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is OYNDVCUYJFQLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClFN3/c1-2-9-6-4(8)5(7)10-3-11-6/h3H,2H2,1H3,(H,9,10,11).
What are the key properties of 6-chloro-N-ethyl-5-fluoropyrimidin-4-amine?
6-chloro-N-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 175.59 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 87243734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).