4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine

C15H26N4O3 — CID 82457954

IUPAC4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
SMILESCCC(C)Nc1nc(C2CCCO2)nc(OCCOC)c1N
InChIInChI=1S/C15H26N4O3/c1-4-10(2)17-14-12(16)15(22-9-8-20-3)19-13(18-14)11-6-5-7-21-11/h10-11H,4-9,16H2,1-3H3,(H,17,18,19)
InChIKeyDBFVPUVTMHSCIB-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.15
Rot. Bonds8

About 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine

4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine (PubChem CID 82457954) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
PubChem CID82457954
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
SMILESCCC(C)Nc1nc(C2CCCO2)nc(OCCOC)c1N
InChIInChI=1S/C15H26N4O3/c1-4-10(2)17-14-12(16)15(22-9-8-20-3)19-13(18-14)11-6-5-7-21-11/h10-11H,4-9,16H2,1-3H3,(H,17,18,19)
InChIKeyDBFVPUVTMHSCIB-UHFFFAOYSA-N
XLogP2.15
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
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'}

Analyze 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine (CID 82457954) is 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine is CCC(C)Nc1nc(C2CCCO2)nc(OCCOC)c1N.
What is the InChIKey of 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine?
The InChIKey is DBFVPUVTMHSCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-4-10(2)17-14-12(16)15(22-9-8-20-3)19-13(18-14)11-6-5-7-21-11/h10-11H,4-9,16H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine?
4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine has a molecular weight of 310.40 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82457954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).