6-methoxy-2-methyl-N-octylpyrimidin-4-amine

C14H25N3O — CID 113337456

IUPAC6-methoxy-2-methyl-N-octylpyrimidin-4-amine
SMILESCCCCCCCCNc1cc(OC)nc(C)n1
InChIInChI=1S/C14H25N3O/c1-4-5-6-7-8-9-10-15-13-11-14(18-3)17-12(2)16-13/h11H,4-10H2,1-3H3,(H,15,16,17)
InChIKeySMVFULPUVGBNBL-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.57
Rot. Bonds9

About 6-methoxy-2-methyl-N-octylpyrimidin-4-amine

6-methoxy-2-methyl-N-octylpyrimidin-4-amine (PubChem CID 113337456) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-octylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-octylpyrimidin-4-amine
PubChem CID113337456
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name6-methoxy-2-methyl-N-octylpyrimidin-4-amine
SMILESCCCCCCCCNc1cc(OC)nc(C)n1
InChIInChI=1S/C14H25N3O/c1-4-5-6-7-8-9-10-15-13-11-14(18-3)17-12(2)16-13/h11H,4-10H2,1-3H3,(H,15,16,17)
InChIKeySMVFULPUVGBNBL-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'}

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Related Compounds

4-N-dodecyl-6-methoxypyrimidine-2,4-diamine
CID 91378772
6-methoxy-4-N-nonylpyrimidine-2,4-diamine
CID 91451166
6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine
CID 91279272
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
6-heptoxy-2-methyl-N-propylpyrimidin-4-amine
CID 80862052
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]ethanol
CID 66325251
1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine
CID 106127472
N-decyl-4,6-dimethoxypyrimidin-2-amine
CID 115355214
6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 66327743
6-methoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
CID 82457982
6-hydrazinyl-2-methyl-N-pentylpyrimidin-4-amine
CID 80932312
N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331858

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-octylpyrimidin-4-amine?
The IUPAC name of 6-methoxy-2-methyl-N-octylpyrimidin-4-amine (CID 113337456) is 6-methoxy-2-methyl-N-octylpyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-2-methyl-N-octylpyrimidin-4-amine?
The canonical SMILES for 6-methoxy-2-methyl-N-octylpyrimidin-4-amine is CCCCCCCCNc1cc(OC)nc(C)n1.
What is the InChIKey of 6-methoxy-2-methyl-N-octylpyrimidin-4-amine?
The InChIKey is SMVFULPUVGBNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-5-6-7-8-9-10-15-13-11-14(18-3)17-12(2)16-13/h11H,4-10H2,1-3H3,(H,15,16,17).
What are the key properties of 6-methoxy-2-methyl-N-octylpyrimidin-4-amine?
6-methoxy-2-methyl-N-octylpyrimidin-4-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 6-methoxy-2-methyl-N-octylpyrimidin-4-amine is sourced from PubChem (CID 113337456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).