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

C14H26N4O2 — CID 82455515

IUPAC4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCCOCCCNc1nc(C)nc(OCC(C)C)c1N
InChIInChI=1S/C14H26N4O2/c1-5-19-8-6-7-16-13-12(15)14(18-11(4)17-13)20-9-10(2)3/h10H,5-9,15H2,1-4H3,(H,16,17,18)
InChIKeyVPSWOBKBVYAKPX-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.24
Rot. Bonds9

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

4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine (PubChem CID 82455515) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
PubChem CID82455515
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCCOCCCNc1nc(C)nc(OCC(C)C)c1N
InChIInChI=1S/C14H26N4O2/c1-5-19-8-6-7-16-13-12(15)14(18-11(4)17-13)20-9-10(2)3/h10H,5-9,15H2,1-4H3,(H,16,17,18)
InChIKeyVPSWOBKBVYAKPX-UHFFFAOYSA-N
XLogP2.24
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)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

Related Compounds

4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455513
4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455728
4-N-ethyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455505
4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455507
4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455531
6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine
CID 82455487
2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458804
6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine
CID 82456045
4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
CID 82455553
2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455532
6-chloro-4-N-(3-ethoxypropyl)-2-propan-2-ylpyrimidine-4,5-diamine
CID 82459227
4-N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455541

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine (CID 82455515) is 4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine is CCOCCCNc1nc(C)nc(OCC(C)C)c1N.
What is the InChIKey of 4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The InChIKey is VPSWOBKBVYAKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-19-8-6-7-16-13-12(15)14(18-11(4)17-13)20-9-10(2)3/h10H,5-9,15H2,1-4H3,(H,16,17,18).
What are the key properties of 4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine has a molecular weight of 282.39 g/mol, XLogP of 2.24, 9 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-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 82455515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).