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

C13H24N4O — CID 82455513

IUPAC4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCCCCNc1nc(C)nc(OCC(C)C)c1N
InChIInChI=1S/C13H24N4O/c1-5-6-7-15-12-11(14)13(17-10(4)16-12)18-8-9(2)3/h9H,5-8,14H2,1-4H3,(H,15,16,17)
InChIKeyQSZGOXLQHMAXNE-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.61
Rot. Bonds7

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

4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine (PubChem CID 82455513) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
PubChem CID82455513
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCCCCNc1nc(C)nc(OCC(C)C)c1N
InChIInChI=1S/C13H24N4O/c1-5-6-7-15-12-11(14)13(17-10(4)16-12)18-8-9(2)3/h9H,5-8,14H2,1-4H3,(H,15,16,17)
InChIKeyQSZGOXLQHMAXNE-UHFFFAOYSA-N
XLogP2.61
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-butyl-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-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455515
4-N-ethyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455505
4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
CID 82455553
6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine
CID 82455487
4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455507
4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458644
4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455531
2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455532
4-N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455541
4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455728
2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458804
6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
CID 82455756

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine (CID 82455513) is 4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine is CCCCNc1nc(C)nc(OCC(C)C)c1N.
What is the InChIKey of 4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The InChIKey is QSZGOXLQHMAXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-6-7-15-12-11(14)13(17-10(4)16-12)18-8-9(2)3/h9H,5-8,14H2,1-4H3,(H,15,16,17).
What are the key properties of 4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 82455513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).