N-hexyl-4-methyl-6-propoxypyrimidin-2-amine

C14H25N3O — CID 112637799

IUPACN-hexyl-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCCCCNc1nc(C)cc(OCCC)n1
InChIInChI=1S/C14H25N3O/c1-4-6-7-8-9-15-14-16-12(3)11-13(17-14)18-10-5-2/h11H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyOLSNNOVHSOHWOR-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.57
Rot. Bonds9

About N-hexyl-4-methyl-6-propoxypyrimidin-2-amine

N-hexyl-4-methyl-6-propoxypyrimidin-2-amine (PubChem CID 112637799) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-hexyl-4-methyl-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-hexyl-4-methyl-6-propoxypyrimidin-2-amine
PubChem CID112637799
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-hexyl-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCCCCNc1nc(C)cc(OCCC)n1
InChIInChI=1S/C14H25N3O/c1-4-6-7-8-9-15-14-16-12(3)11-13(17-14)18-10-5-2/h11H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyOLSNNOVHSOHWOR-UHFFFAOYSA-N
XLogP3.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-hexyl-4-methyl-6-propoxypyrimidin-2-amine 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-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine
CID 80861146
N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106308368
N-[3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propyl]methanesulfonamide
CID 106337209
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]butanoic acid
CID 112634344
4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 115975022
4-hexoxy-N,6-dimethylpyrimidin-2-amine
CID 80862000
4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
CID 114131177
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine
CID 115974555

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-methyl-6-propoxypyrimidin-2-amine?
The IUPAC name of N-hexyl-4-methyl-6-propoxypyrimidin-2-amine (CID 112637799) is N-hexyl-4-methyl-6-propoxypyrimidin-2-amine.
What is the SMILES notation for N-hexyl-4-methyl-6-propoxypyrimidin-2-amine?
The canonical SMILES for N-hexyl-4-methyl-6-propoxypyrimidin-2-amine is CCCCCCNc1nc(C)cc(OCCC)n1.
What is the InChIKey of N-hexyl-4-methyl-6-propoxypyrimidin-2-amine?
The InChIKey is OLSNNOVHSOHWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-6-7-8-9-15-14-16-12(3)11-13(17-14)18-10-5-2/h11H,4-10H2,1-3H3,(H,15,16,17).
What are the key properties of N-hexyl-4-methyl-6-propoxypyrimidin-2-amine?
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-methyl-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 112637799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).