2-(4-bromophenyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine

C14H16BrN3O — CID 57390457

IUPAC2-(4-bromophenyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine
SMILESCOCCNc1cc(C)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H16BrN3O/c1-10-9-13(16-7-8-19-2)18-14(17-10)11-3-5-12(15)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyDKPSZYFWHACRTC-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.27
Rot. Bonds5

About 2-(4-bromophenyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine

2-(4-bromophenyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine (PubChem CID 57390457) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine
PubChem CID57390457
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-(4-bromophenyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine
SMILESCOCCNc1cc(C)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H16BrN3O/c1-10-9-13(16-7-8-19-2)18-14(17-10)11-3-5-12(15)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyDKPSZYFWHACRTC-UHFFFAOYSA-N
XLogP3.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromophenyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine (CID 57390457) is 2-(4-bromophenyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine is COCCNc1cc(C)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine?
The InChIKey is DKPSZYFWHACRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-10-9-13(16-7-8-19-2)18-14(17-10)11-3-5-12(15)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(4-bromophenyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine?
2-(4-bromophenyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 57390457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).