6-(3-bromo-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine

C14H15BrFN3O — CID 106646789

IUPAC6-(3-bromo-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2cccc(Br)c2F)nc(COC)n1
InChIInChI=1S/C14H15BrFN3O/c1-3-17-12-7-11(18-13(19-12)8-20-2)9-5-4-6-10(15)14(9)16/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyNAESVNZLTXQYIG-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.62
Rot. Bonds5

About 6-(3-bromo-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine

6-(3-bromo-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 106646789) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 6-(3-bromo-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromo-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID106646789
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name6-(3-bromo-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2cccc(Br)c2F)nc(COC)n1
InChIInChI=1S/C14H15BrFN3O/c1-3-17-12-7-11(18-13(19-12)8-20-2)9-5-4-6-10(15)14(9)16/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyNAESVNZLTXQYIG-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-bromo-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine (CID 106646789) is 6-(3-bromo-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromo-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-bromo-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine is CCNc1cc(-c2cccc(Br)c2F)nc(COC)n1.
What is the InChIKey of 6-(3-bromo-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is NAESVNZLTXQYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-3-17-12-7-11(18-13(19-12)8-20-2)9-5-4-6-10(15)14(9)16/h4-7H,3,8H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(3-bromo-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine?
6-(3-bromo-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 340.20 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 106646789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).