5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine

C6H7ClFN3 — CID 54088424

IUPAC5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine
SMILESCC(F)c1ncnc(N)c1Cl
InChIInChI=1S/C6H7ClFN3/c1-3(8)5-4(7)6(9)11-2-10-5/h2-3H,1H3,(H2,9,10,11)
InChIKeyMSCXOYUJINNDKZ-UHFFFAOYSA-N
MW175.59 g/mol
LogP1.74
Rot. Bonds1

About 5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine

5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine (PubChem CID 54088424) has the molecular formula C6H7ClFN3 and a molecular weight of 175.59 g/mol. Its IUPAC name is 5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine
PubChem CID54088424
Molecular FormulaC6H7ClFN3
Molecular Weight175.59 g/mol
Exact Mass175.03
IUPAC Name5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine
SMILESCC(F)c1ncnc(N)c1Cl
InChIInChI=1S/C6H7ClFN3/c1-3(8)5-4(7)6(9)11-2-10-5/h2-3H,1H3,(H2,9,10,11)
InChIKeyMSCXOYUJINNDKZ-UHFFFAOYSA-N
XLogP1.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.59
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine (CID 54088424) is 5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine is CC(F)c1ncnc(N)c1Cl.
What is the InChIKey of 5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine?
The InChIKey is MSCXOYUJINNDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClFN3/c1-3(8)5-4(7)6(9)11-2-10-5/h2-3H,1H3,(H2,9,10,11).
What are the key properties of 5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine?
5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine has a molecular weight of 175.59 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 54088424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).