6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine

C15H20N4O2 — CID 82455277

IUPAC6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
SMILESCOCCOc1ncnc(NC(C)c2ccccc2)c1N
InChIInChI=1S/C15H20N4O2/c1-11(12-6-4-3-5-7-12)19-14-13(16)15(18-10-17-14)21-9-8-20-2/h3-7,10-11H,8-9,16H2,1-2H3,(H,17,18,19)
InChIKeyONPUUJQXWKFDQU-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.26
Rot. Bonds7

About 6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine

6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine (PubChem CID 82455277) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
PubChem CID82455277
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
SMILESCOCCOc1ncnc(NC(C)c2ccccc2)c1N
InChIInChI=1S/C15H20N4O2/c1-11(12-6-4-3-5-7-12)19-14-13(16)15(18-10-17-14)21-9-8-20-2/h3-7,10-11H,8-9,16H2,1-2H3,(H,17,18,19)
InChIKeyONPUUJQXWKFDQU-UHFFFAOYSA-N
XLogP2.26
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.26
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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Related Compounds

6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82455271
4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455310
6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 19145712
6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19135224
6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 82455287
N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19145725
6-N-(3-methylbutyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145751
N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide
CID 19145715
2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455686
4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455299
6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine
CID 82455281
4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154117

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine (CID 82455277) is 6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine is COCCOc1ncnc(NC(C)c2ccccc2)c1N.
What is the InChIKey of 6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine?
The InChIKey is ONPUUJQXWKFDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(12-6-4-3-5-7-12)19-14-13(16)15(18-10-17-14)21-9-8-20-2/h3-7,10-11H,8-9,16H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine?
6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine has a molecular weight of 288.35 g/mol, XLogP of 2.26, 7 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-(1-phenylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82455277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).