5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine

C14H15BrFN3O — CID 66295682

IUPAC5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(OC)c(F)c2)ncc1Br
InChIInChI=1S/C14H15BrFN3O/c1-3-6-17-14-10(15)8-18-13(19-14)9-4-5-12(20-2)11(16)7-9/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyQVRUEFJNIKOXCS-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.88
Rot. Bonds5

About 5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine

5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine (PubChem CID 66295682) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine
PubChem CID66295682
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(OC)c(F)c2)ncc1Br
InChIInChI=1S/C14H15BrFN3O/c1-3-6-17-14-10(15)8-18-13(19-14)9-4-5-12(20-2)11(16)7-9/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyQVRUEFJNIKOXCS-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine (CID 66295682) is 5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccc(OC)c(F)c2)ncc1Br.
What is the InChIKey of 5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine?
The InChIKey is QVRUEFJNIKOXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-3-6-17-14-10(15)8-18-13(19-14)9-4-5-12(20-2)11(16)7-9/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine?
5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine has a molecular weight of 340.20 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66295682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).