4-methyl-N-octylpyrimidin-2-amine

C13H23N3 — CID 115568939

IUPAC4-methyl-N-octylpyrimidin-2-amine
SMILESCCCCCCCCNc1nccc(C)n1
InChIInChI=1S/C13H23N3/c1-3-4-5-6-7-8-10-14-13-15-11-9-12(2)16-13/h9,11H,3-8,10H2,1-2H3,(H,14,15,16)
InChIKeySEUSJMNHXSDZSL-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.56
Rot. Bonds8

About 4-methyl-N-octylpyrimidin-2-amine

4-methyl-N-octylpyrimidin-2-amine (PubChem CID 115568939) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-methyl-N-octylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-octylpyrimidin-2-amine
PubChem CID115568939
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-methyl-N-octylpyrimidin-2-amine
SMILESCCCCCCCCNc1nccc(C)n1
InChIInChI=1S/C13H23N3/c1-3-4-5-6-7-8-10-14-13-15-11-9-12(2)16-13/h9,11H,3-8,10H2,1-2H3,(H,14,15,16)
InChIKeySEUSJMNHXSDZSL-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine
CID 82944082
N-(3-fluoropropyl)-4-methylpyrimidin-2-amine
CID 130504329
N'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 133309962
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine
CID 106308364
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine
CID 117044287
2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112885911
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
N-(3-fluorobutyl)-4-methylpyrimidin-2-amine
CID 130637741
4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine
CID 115637231
4-methyl-N-pent-3-ynylpyrimidin-2-amine
CID 116644591

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-octylpyrimidin-2-amine?
The IUPAC name of 4-methyl-N-octylpyrimidin-2-amine (CID 115568939) is 4-methyl-N-octylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-octylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-octylpyrimidin-2-amine is CCCCCCCCNc1nccc(C)n1.
What is the InChIKey of 4-methyl-N-octylpyrimidin-2-amine?
The InChIKey is SEUSJMNHXSDZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-4-5-6-7-8-10-14-13-15-11-9-12(2)16-13/h9,11H,3-8,10H2,1-2H3,(H,14,15,16).
What are the key properties of 4-methyl-N-octylpyrimidin-2-amine?
4-methyl-N-octylpyrimidin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-octylpyrimidin-2-amine is sourced from PubChem (CID 115568939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).