N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine

C16H20FN3 — CID 63486628

IUPACN-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(-c2ccc(C)c(F)c2)n1
InChIInChI=1S/C16H20FN3/c1-4-6-13-10-15(18-5-2)20-16(19-13)12-8-7-11(3)14(17)9-12/h7-10H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyJEZYMESGZXDBSV-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.98
Rot. Bonds5

About N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine

N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine (PubChem CID 63486628) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine
PubChem CID63486628
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC NameN-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(-c2ccc(C)c(F)c2)n1
InChIInChI=1S/C16H20FN3/c1-4-6-13-10-15(18-5-2)20-16(19-13)12-8-7-11(3)14(17)9-12/h7-10H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyJEZYMESGZXDBSV-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine (CID 63486628) is N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine is CCCc1cc(NCC)nc(-c2ccc(C)c(F)c2)n1.
What is the InChIKey of N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine?
The InChIKey is JEZYMESGZXDBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-4-6-13-10-15(18-5-2)20-16(19-13)12-8-7-11(3)14(17)9-12/h7-10H,4-6H2,1-3H3,(H,18,19,20).
What are the key properties of N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine?
N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine has a molecular weight of 273.35 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 63486628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).