2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine

C16H20BrN3O — CID 63479481

IUPAC2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(-c2cc(Br)ccc2OC)n1
InChIInChI=1S/C16H20BrN3O/c1-4-6-12-10-15(18-5-2)20-16(19-12)13-9-11(17)7-8-14(13)21-3/h7-10H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyAXSBUJOAPQAVRW-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.30
Rot. Bonds6

About 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine

2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine (PubChem CID 63479481) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine
PubChem CID63479481
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(-c2cc(Br)ccc2OC)n1
InChIInChI=1S/C16H20BrN3O/c1-4-6-12-10-15(18-5-2)20-16(19-12)13-9-11(17)7-8-14(13)21-3/h7-10H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyAXSBUJOAPQAVRW-UHFFFAOYSA-N
XLogP4.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine (CID 63479481) is 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine is CCCc1cc(NCC)nc(-c2cc(Br)ccc2OC)n1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine?
The InChIKey is AXSBUJOAPQAVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-4-6-12-10-15(18-5-2)20-16(19-12)13-9-11(17)7-8-14(13)21-3/h7-10H,4-6H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine?
2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 63479481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).