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

C14H18N4O2 — CID 82455310

IUPAC4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
SMILESCOCCOc1ncnc(NCc2ccccc2)c1N
InChIInChI=1S/C14H18N4O2/c1-19-7-8-20-14-12(15)13(17-10-18-14)16-9-11-5-3-2-4-6-11/h2-6,10H,7-9,15H2,1H3,(H,16,17,18)
InChIKeySODIFGBGRBNAND-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.70
Rot. Bonds7

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

4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine (PubChem CID 82455310) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
PubChem CID82455310
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
SMILESCOCCOc1ncnc(NCc2ccccc2)c1N
InChIInChI=1S/C14H18N4O2/c1-19-7-8-20-14-12(15)13(17-10-18-14)16-9-11-5-3-2-4-6-11/h2-6,10H,7-9,15H2,1H3,(H,16,17,18)
InChIKeySODIFGBGRBNAND-UHFFFAOYSA-N
XLogP1.70
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.70
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 4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine (CID 82455310) is 4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine is COCCOc1ncnc(NCc2ccccc2)c1N.
What is the InChIKey of 4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine?
The InChIKey is SODIFGBGRBNAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-7-8-20-14-12(15)13(17-10-18-14)16-9-11-5-3-2-4-6-11/h2-6,10H,7-9,15H2,1H3,(H,16,17,18).
What are the key properties of 4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine?
4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine has a molecular weight of 274.32 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 82455310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).