N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine

C13H14FN3O — CID 82812222

IUPACN-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2cccc(OC)c2F)ncn1
InChIInChI=1S/C13H14FN3O/c1-3-15-12-7-10(16-8-17-12)9-5-4-6-11(18-2)13(9)14/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyFHJATXJORDYFLW-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.72
Rot. Bonds4

About N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine

N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine (PubChem CID 82812222) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine
PubChem CID82812222
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2cccc(OC)c2F)ncn1
InChIInChI=1S/C13H14FN3O/c1-3-15-12-7-10(16-8-17-12)9-5-4-6-11(18-2)13(9)14/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyFHJATXJORDYFLW-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine (CID 82812222) is N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine is CCNc1cc(-c2cccc(OC)c2F)ncn1.
What is the InChIKey of N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is FHJATXJORDYFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-3-15-12-7-10(16-8-17-12)9-5-4-6-11(18-2)13(9)14/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine?
N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 247.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 82812222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).