4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine

C15H28N4O2 — CID 82455728

IUPAC4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCCOCCCNc1nc(CC)nc(OCC(C)C)c1N
InChIInChI=1S/C15H28N4O2/c1-5-12-18-14(17-8-7-9-20-6-2)13(16)15(19-12)21-10-11(3)4/h11H,5-10,16H2,1-4H3,(H,17,18,19)
InChIKeyPFHNCUPZPMQOSQ-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.49
Rot. Bonds10

About 4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine

4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine (PubChem CID 82455728) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
PubChem CID82455728
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCCOCCCNc1nc(CC)nc(OCC(C)C)c1N
InChIInChI=1S/C15H28N4O2/c1-5-12-18-14(17-8-7-9-20-6-2)13(16)15(19-12)21-10-11(3)4/h11H,5-10,16H2,1-4H3,(H,17,18,19)
InChIKeyPFHNCUPZPMQOSQ-UHFFFAOYSA-N
XLogP2.49
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.49
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

4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455515
6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine
CID 82456045
6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
CID 82455756
4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458644
4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455513
4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458307
2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458804
2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455747
4-N-[2-(dimethylamino)ethyl]-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458314
4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981884
2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine
CID 82455609
2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455702

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine (CID 82455728) is 4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine is CCOCCCNc1nc(CC)nc(OCC(C)C)c1N.
What is the InChIKey of 4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The InChIKey is PFHNCUPZPMQOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-5-12-18-14(17-8-7-9-20-6-2)13(16)15(19-12)21-10-11(3)4/h11H,5-10,16H2,1-4H3,(H,17,18,19).
What are the key properties of 4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine has a molecular weight of 296.42 g/mol, XLogP of 2.49, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 82455728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).