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

C15H17ClFN3 — CID 19103999

IUPAC5-chloro-6-(1-fluoroethyl)-N-(1-phenylpropyl)pyrimidin-4-amine
SMILESCCC(Nc1ncnc(C(C)F)c1Cl)c1ccccc1
InChIInChI=1S/C15H17ClFN3/c1-3-12(11-7-5-4-6-8-11)20-15-13(16)14(10(2)17)18-9-19-15/h4-10,12H,3H2,1-2H3,(H,18,19,20)
InChIKeyOXTLNEXCFFQEHG-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.72
Rot. Bonds5

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

5-chloro-6-(1-fluoroethyl)-N-(1-phenylpropyl)pyrimidin-4-amine (PubChem CID 19103999) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 5-chloro-6-(1-fluoroethyl)-N-(1-phenylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(1-fluoroethyl)-N-(1-phenylpropyl)pyrimidin-4-amine
PubChem CID19103999
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name5-chloro-6-(1-fluoroethyl)-N-(1-phenylpropyl)pyrimidin-4-amine
SMILESCCC(Nc1ncnc(C(C)F)c1Cl)c1ccccc1
InChIInChI=1S/C15H17ClFN3/c1-3-12(11-7-5-4-6-8-11)20-15-13(16)14(10(2)17)18-9-19-15/h4-10,12H,3H2,1-2H3,(H,18,19,20)
InChIKeyOXTLNEXCFFQEHG-UHFFFAOYSA-N
XLogP4.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.72
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-(1-phenylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(1-fluoroethyl)-N-(1-phenylpropyl)pyrimidin-4-amine (CID 19103999) is 5-chloro-6-(1-fluoroethyl)-N-(1-phenylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(1-fluoroethyl)-N-(1-phenylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(1-fluoroethyl)-N-(1-phenylpropyl)pyrimidin-4-amine is CCC(Nc1ncnc(C(C)F)c1Cl)c1ccccc1.
What is the InChIKey of 5-chloro-6-(1-fluoroethyl)-N-(1-phenylpropyl)pyrimidin-4-amine?
The InChIKey is OXTLNEXCFFQEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-3-12(11-7-5-4-6-8-11)20-15-13(16)14(10(2)17)18-9-19-15/h4-10,12H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 5-chloro-6-(1-fluoroethyl)-N-(1-phenylpropyl)pyrimidin-4-amine?
5-chloro-6-(1-fluoroethyl)-N-(1-phenylpropyl)pyrimidin-4-amine has a molecular weight of 293.77 g/mol, XLogP of 4.72, 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-(1-phenylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 19103999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).