4-methyl-6-octoxy-N-propylpyrimidin-2-amine

C16H29N3O — CID 80862007

IUPAC4-methyl-6-octoxy-N-propylpyrimidin-2-amine
SMILESCCCCCCCCOc1cc(C)nc(NCCC)n1
InChIInChI=1S/C16H29N3O/c1-4-6-7-8-9-10-12-20-15-13-14(3)18-16(19-15)17-11-5-2/h13H,4-12H2,1-3H3,(H,17,18,19)
InChIKeyQJYRLDVNUYTONC-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.35
Rot. Bonds11

About 4-methyl-6-octoxy-N-propylpyrimidin-2-amine

4-methyl-6-octoxy-N-propylpyrimidin-2-amine (PubChem CID 80862007) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-methyl-6-octoxy-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-octoxy-N-propylpyrimidin-2-amine
PubChem CID80862007
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name4-methyl-6-octoxy-N-propylpyrimidin-2-amine
SMILESCCCCCCCCOc1cc(C)nc(NCCC)n1
InChIInChI=1S/C16H29N3O/c1-4-6-7-8-9-10-12-20-15-13-14(3)18-16(19-15)17-11-5-2/h13H,4-12H2,1-3H3,(H,17,18,19)
InChIKeyQJYRLDVNUYTONC-UHFFFAOYSA-N
XLogP4.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-6-octoxy-N-propylpyrimidin-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

N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine
CID 80861146
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
4-hexoxy-N,6-dimethylpyrimidin-2-amine
CID 80862000
4-[2-(3-methoxypropoxy)ethoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 103176485
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
CID 114131177
6-heptoxy-2-methyl-N-propylpyrimidin-4-amine
CID 80862052
N-[3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propyl]methanesulfonamide
CID 106337209
N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106308368
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]butanoic acid
CID 112634344
4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80877303

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-octoxy-N-propylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-octoxy-N-propylpyrimidin-2-amine (CID 80862007) is 4-methyl-6-octoxy-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-octoxy-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-octoxy-N-propylpyrimidin-2-amine is CCCCCCCCOc1cc(C)nc(NCCC)n1.
What is the InChIKey of 4-methyl-6-octoxy-N-propylpyrimidin-2-amine?
The InChIKey is QJYRLDVNUYTONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-6-7-8-9-10-12-20-15-13-14(3)18-16(19-15)17-11-5-2/h13H,4-12H2,1-3H3,(H,17,18,19).
What are the key properties of 4-methyl-6-octoxy-N-propylpyrimidin-2-amine?
4-methyl-6-octoxy-N-propylpyrimidin-2-amine has a molecular weight of 279.43 g/mol, XLogP of 4.35, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-octoxy-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80862007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).