5-bromo-6-(1-phenylethoxy)pyrimidin-4-amine

C12H12BrN3O — CID 114073020

IUPAC5-bromo-6-(1-phenylethoxy)pyrimidin-4-amine
SMILESCC(Oc1ncnc(N)c1Br)c1ccccc1
InChIInChI=1S/C12H12BrN3O/c1-8(9-5-3-2-4-6-9)17-12-10(13)11(14)15-7-16-12/h2-8H,1H3,(H2,14,15,16)
InChIKeyRNASLVPDPUAXKI-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.96
Rot. Bonds3

About 5-bromo-6-(1-phenylethoxy)pyrimidin-4-amine

5-bromo-6-(1-phenylethoxy)pyrimidin-4-amine (PubChem CID 114073020) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-bromo-6-(1-phenylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(1-phenylethoxy)pyrimidin-4-amine
PubChem CID114073020
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name5-bromo-6-(1-phenylethoxy)pyrimidin-4-amine
SMILESCC(Oc1ncnc(N)c1Br)c1ccccc1
InChIInChI=1S/C12H12BrN3O/c1-8(9-5-3-2-4-6-9)17-12-10(13)11(14)15-7-16-12/h2-8H,1H3,(H2,14,15,16)
InChIKeyRNASLVPDPUAXKI-UHFFFAOYSA-N
XLogP2.96
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(1-phenylethoxy)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(1-phenylethoxy)pyrimidin-4-amine (CID 114073020) is 5-bromo-6-(1-phenylethoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(1-phenylethoxy)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(1-phenylethoxy)pyrimidin-4-amine is CC(Oc1ncnc(N)c1Br)c1ccccc1.
What is the InChIKey of 5-bromo-6-(1-phenylethoxy)pyrimidin-4-amine?
The InChIKey is RNASLVPDPUAXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8(9-5-3-2-4-6-9)17-12-10(13)11(14)15-7-16-12/h2-8H,1H3,(H2,14,15,16).
What are the key properties of 5-bromo-6-(1-phenylethoxy)pyrimidin-4-amine?
5-bromo-6-(1-phenylethoxy)pyrimidin-4-amine has a molecular weight of 294.15 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(1-phenylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 114073020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).