2-(3-fluorophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine

C15H18FN3O — CID 62318955

IUPAC2-(3-fluorophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H18FN3O/c1-3-7-17-14-9-13(10-20-2)18-15(19-14)11-5-4-6-12(16)8-11/h4-6,8-9H,3,7,10H2,1-2H3,(H,17,18,19)
InChIKeyLLRZYTRXZGWPLI-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.25
Rot. Bonds6

About 2-(3-fluorophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine

2-(3-fluorophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine (PubChem CID 62318955) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
PubChem CID62318955
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-(3-fluorophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H18FN3O/c1-3-7-17-14-9-13(10-20-2)18-15(19-14)11-5-4-6-12(16)8-11/h4-6,8-9H,3,7,10H2,1-2H3,(H,17,18,19)
InChIKeyLLRZYTRXZGWPLI-UHFFFAOYSA-N
XLogP3.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-fluorophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine (CID 62318955) is 2-(3-fluorophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-fluorophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine is CCCNc1cc(COC)nc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The InChIKey is LLRZYTRXZGWPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-3-7-17-14-9-13(10-20-2)18-15(19-14)11-5-4-6-12(16)8-11/h4-6,8-9H,3,7,10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(3-fluorophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
2-(3-fluorophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 62318955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).