6-chloro-N-ethyl-N-(2-fluorophenyl)-5-propylpyrimidin-4-amine

C15H17ClFN3 — CID 63728499

IUPAC6-chloro-N-ethyl-N-(2-fluorophenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(CC)c1ccccc1F
InChIInChI=1S/C15H17ClFN3/c1-3-7-11-14(16)18-10-19-15(11)20(4-2)13-9-6-5-8-12(13)17/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyJFZMJHSDURBSOL-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.38
Rot. Bonds5

About 6-chloro-N-ethyl-N-(2-fluorophenyl)-5-propylpyrimidin-4-amine

6-chloro-N-ethyl-N-(2-fluorophenyl)-5-propylpyrimidin-4-amine (PubChem CID 63728499) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-(2-fluorophenyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-(2-fluorophenyl)-5-propylpyrimidin-4-amine
PubChem CID63728499
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name6-chloro-N-ethyl-N-(2-fluorophenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(CC)c1ccccc1F
InChIInChI=1S/C15H17ClFN3/c1-3-7-11-14(16)18-10-19-15(11)20(4-2)13-9-6-5-8-12(13)17/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyJFZMJHSDURBSOL-UHFFFAOYSA-N
XLogP4.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-(2-fluorophenyl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-N-(2-fluorophenyl)-5-propylpyrimidin-4-amine (CID 63728499) is 6-chloro-N-ethyl-N-(2-fluorophenyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-N-(2-fluorophenyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-N-(2-fluorophenyl)-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1N(CC)c1ccccc1F.
What is the InChIKey of 6-chloro-N-ethyl-N-(2-fluorophenyl)-5-propylpyrimidin-4-amine?
The InChIKey is JFZMJHSDURBSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-3-7-11-14(16)18-10-19-15(11)20(4-2)13-9-6-5-8-12(13)17/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of 6-chloro-N-ethyl-N-(2-fluorophenyl)-5-propylpyrimidin-4-amine?
6-chloro-N-ethyl-N-(2-fluorophenyl)-5-propylpyrimidin-4-amine has a molecular weight of 293.77 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-(2-fluorophenyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63728499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).