6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine

C15H20N4O2 — CID 82455287

IUPAC6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
SMILESCOCCOc1ncnc(NCCc2ccccc2)c1N
InChIInChI=1S/C15H20N4O2/c1-20-9-10-21-15-13(16)14(18-11-19-15)17-8-7-12-5-3-2-4-6-12/h2-6,11H,7-10,16H2,1H3,(H,17,18,19)
InChIKeyQKVVIFKVKKKMLD-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.74
Rot. Bonds8

About 6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine

6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine (PubChem CID 82455287) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
PubChem CID82455287
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
SMILESCOCCOc1ncnc(NCCc2ccccc2)c1N
InChIInChI=1S/C15H20N4O2/c1-20-9-10-21-15-13(16)14(18-11-19-15)17-8-7-12-5-3-2-4-6-12/h2-6,11H,7-10,16H2,1H3,(H,17,18,19)
InChIKeyQKVVIFKVKKKMLD-UHFFFAOYSA-N
XLogP1.74
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
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 6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine (CID 82455287) is 6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine is COCCOc1ncnc(NCCc2ccccc2)c1N.
What is the InChIKey of 6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine?
The InChIKey is QKVVIFKVKKKMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-20-9-10-21-15-13(16)14(18-11-19-15)17-8-7-12-5-3-2-4-6-12/h2-6,11H,7-10,16H2,1H3,(H,17,18,19).
What are the key properties of 6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine?
6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine has a molecular weight of 288.35 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82455287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).