6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine

C14H25N3O — CID 115326240

IUPAC6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
SMILESCCOc1ncnc(NCCCCC(C)C)c1C
InChIInChI=1S/C14H25N3O/c1-5-18-14-12(4)13(16-10-17-14)15-9-7-6-8-11(2)3/h10-11H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyXEYJGIYDVNNUET-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.42
Rot. Bonds8

About 6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine

6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine (PubChem CID 115326240) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
PubChem CID115326240
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
SMILESCCOc1ncnc(NCCCCC(C)C)c1C
InChIInChI=1S/C14H25N3O/c1-5-18-14-12(4)13(16-10-17-14)15-9-7-6-8-11(2)3/h10-11H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyXEYJGIYDVNNUET-UHFFFAOYSA-N
XLogP3.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.42
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

6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831901
4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
CID 66326842
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356
5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831472
6-ethoxy-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
CID 66327697
6-ethoxy-5-methyl-N-pent-3-ynylpyrimidin-4-amine
CID 116644552
N-hexyl-6-methoxy-5-methylpyrimidin-4-amine
CID 66325235
N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 113457874
methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate
CID 66326780
6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 66326862
5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162116
N-(1-chloro-4-methylpentan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327825

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine (CID 115326240) is 6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine is CCOc1ncnc(NCCCCC(C)C)c1C.
What is the InChIKey of 6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine?
The InChIKey is XEYJGIYDVNNUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-18-14-12(4)13(16-10-17-14)15-9-7-6-8-11(2)3/h10-11H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of 6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine?
6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine is sourced from PubChem (CID 115326240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).