5-chloro-6-(1-fluoroethyl)-N-(2-phenylethyl)pyrimidin-4-amine

C14H15ClFN3 — CID 10923936

IUPAC5-chloro-6-(1-fluoroethyl)-N-(2-phenylethyl)pyrimidin-4-amine
SMILESCC(F)c1ncnc(NCCc2ccccc2)c1Cl
InChIInChI=1S/C14H15ClFN3/c1-10(16)13-12(15)14(19-9-18-13)17-8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,18,19)
InChIKeyOXSQGLTUBMZPJG-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.82
Rot. Bonds5

About 5-chloro-6-(1-fluoroethyl)-N-(2-phenylethyl)pyrimidin-4-amine

5-chloro-6-(1-fluoroethyl)-N-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 10923936) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 5-chloro-6-(1-fluoroethyl)-N-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(1-fluoroethyl)-N-(2-phenylethyl)pyrimidin-4-amine
PubChem CID10923936
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name5-chloro-6-(1-fluoroethyl)-N-(2-phenylethyl)pyrimidin-4-amine
SMILESCC(F)c1ncnc(NCCc2ccccc2)c1Cl
InChIInChI=1S/C14H15ClFN3/c1-10(16)13-12(15)14(19-9-18-13)17-8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,18,19)
InChIKeyOXSQGLTUBMZPJG-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.82
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)-N-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(1-fluoroethyl)-N-(2-phenylethyl)pyrimidin-4-amine (CID 10923936) is 5-chloro-6-(1-fluoroethyl)-N-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(1-fluoroethyl)-N-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(1-fluoroethyl)-N-(2-phenylethyl)pyrimidin-4-amine is CC(F)c1ncnc(NCCc2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-6-(1-fluoroethyl)-N-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is OXSQGLTUBMZPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-10(16)13-12(15)14(19-9-18-13)17-8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,18,19).
What are the key properties of 5-chloro-6-(1-fluoroethyl)-N-(2-phenylethyl)pyrimidin-4-amine?
5-chloro-6-(1-fluoroethyl)-N-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 279.75 g/mol, XLogP of 3.82, 5 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)-N-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 10923936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).