6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine

C15H26N4O3 — CID 82457894

IUPAC6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
SMILESCCOCCCNc1nc(C2CCCO2)nc(OCC)c1N
InChIInChI=1S/C15H26N4O3/c1-3-20-9-6-8-17-14-12(16)15(21-4-2)19-13(18-14)11-7-5-10-22-11/h11H,3-10,16H2,1-2H3,(H,17,18,19)
InChIKeyCHRIKLHIIOTXHJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.15
Rot. Bonds9

About 6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine

6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine (PubChem CID 82457894) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
PubChem CID82457894
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
SMILESCCOCCCNc1nc(C2CCCO2)nc(OCC)c1N
InChIInChI=1S/C15H26N4O3/c1-3-20-9-6-8-17-14-12(16)15(21-4-2)19-13(18-14)11-7-5-10-22-11/h11H,3-10,16H2,1-2H3,(H,17,18,19)
InChIKeyCHRIKLHIIOTXHJ-UHFFFAOYSA-N
XLogP2.15
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine
CID 82457901
4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine
CID 82457921
4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457926
N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457692
6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82457938
6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 82457953
4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine
CID 82458490
6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine
CID 82456045
6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82457877
4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457954
6-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82457859
6-(3-ethoxypropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457595

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine (CID 82457894) is 6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine is CCOCCCNc1nc(C2CCCO2)nc(OCC)c1N.
What is the InChIKey of 6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine?
The InChIKey is CHRIKLHIIOTXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-3-20-9-6-8-17-14-12(16)15(21-4-2)19-13(18-14)11-7-5-10-22-11/h11H,3-10,16H2,1-2H3,(H,17,18,19).
What are the key properties of 6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine?
6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine has a molecular weight of 310.40 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82457894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).