5-bromo-4-(2-methoxyethoxy)-N-(2-methoxyphenyl)pyrimidin-2-amine

C14H16BrN3O3 — CID 123478073

IUPAC5-bromo-4-(2-methoxyethoxy)-N-(2-methoxyphenyl)pyrimidin-2-amine
SMILESCOCCOc1nc(Nc2ccccc2OC)ncc1Br
InChIInChI=1S/C14H16BrN3O3/c1-19-7-8-21-13-10(15)9-16-14(18-13)17-11-5-3-4-6-12(11)20-2/h3-6,9H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyMBYMWLYOBVPSMN-UHFFFAOYSA-N
MW354.20 g/mol
LogP3.02
Rot. Bonds7

About 5-bromo-4-(2-methoxyethoxy)-N-(2-methoxyphenyl)pyrimidin-2-amine

5-bromo-4-(2-methoxyethoxy)-N-(2-methoxyphenyl)pyrimidin-2-amine (PubChem CID 123478073) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is 5-bromo-4-(2-methoxyethoxy)-N-(2-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2-methoxyethoxy)-N-(2-methoxyphenyl)pyrimidin-2-amine
PubChem CID123478073
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Name5-bromo-4-(2-methoxyethoxy)-N-(2-methoxyphenyl)pyrimidin-2-amine
SMILESCOCCOc1nc(Nc2ccccc2OC)ncc1Br
InChIInChI=1S/C14H16BrN3O3/c1-19-7-8-21-13-10(15)9-16-14(18-13)17-11-5-3-4-6-12(11)20-2/h3-6,9H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyMBYMWLYOBVPSMN-UHFFFAOYSA-N
XLogP3.02
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-bromo-4-(2-methoxyethoxy)-N-(2-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2-methoxyethoxy)-N-(2-methoxyphenyl)pyrimidin-2-amine (CID 123478073) is 5-bromo-4-(2-methoxyethoxy)-N-(2-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2-methoxyethoxy)-N-(2-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2-methoxyethoxy)-N-(2-methoxyphenyl)pyrimidin-2-amine is COCCOc1nc(Nc2ccccc2OC)ncc1Br.
What is the InChIKey of 5-bromo-4-(2-methoxyethoxy)-N-(2-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is MBYMWLYOBVPSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c1-19-7-8-21-13-10(15)9-16-14(18-13)17-11-5-3-4-6-12(11)20-2/h3-6,9H,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-4-(2-methoxyethoxy)-N-(2-methoxyphenyl)pyrimidin-2-amine?
5-bromo-4-(2-methoxyethoxy)-N-(2-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 354.20 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-methoxyethoxy)-N-(2-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 123478073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).