N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine

C14H16FN3 — CID 115503017

IUPACN-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2cccc(F)c2C)c1C
InChIInChI=1S/C14H16FN3/c1-4-16-14-10(3)13(17-8-18-14)11-6-5-7-12(15)9(11)2/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyOZBWZFVIYBGIPR-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.33
Rot. Bonds3

About N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine

N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine (PubChem CID 115503017) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
PubChem CID115503017
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2cccc(F)c2C)c1C
InChIInChI=1S/C14H16FN3/c1-4-16-14-10(3)13(17-8-18-14)11-6-5-7-12(15)9(11)2/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyOZBWZFVIYBGIPR-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine (CID 115503017) is N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine is CCNc1ncnc(-c2cccc(F)c2C)c1C.
What is the InChIKey of N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine?
The InChIKey is OZBWZFVIYBGIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-4-16-14-10(3)13(17-8-18-14)11-6-5-7-12(15)9(11)2/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine?
N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine has a molecular weight of 245.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 115503017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).