4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine

C13H23N3O2 — CID 114131177

IUPAC4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCCCCCOC)n1
InChIInChI=1S/C13H23N3O2/c1-4-18-12-10-11(2)15-13(16-12)14-8-6-5-7-9-17-3/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyFWOCAAZQARQGKM-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.41
Rot. Bonds9

About 4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine

4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine (PubChem CID 114131177) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
PubChem CID114131177
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCCCCCOC)n1
InChIInChI=1S/C13H23N3O2/c1-4-18-12-10-11(2)15-13(16-12)14-8-6-5-7-9-17-3/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyFWOCAAZQARQGKM-UHFFFAOYSA-N
XLogP2.41
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol
CID 106842653
4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine
CID 114127734
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
4-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
4-[2-(3-methoxypropoxy)ethoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 103176485
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine
CID 112634830
4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
CID 112637746
N-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine
CID 103176501
N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine
CID 80861146
6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine (CID 114131177) is 4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine is CCOc1cc(C)nc(NCCCCCOC)n1.
What is the InChIKey of 4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine?
The InChIKey is FWOCAAZQARQGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-18-12-10-11(2)15-13(16-12)14-8-6-5-7-9-17-3/h10H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of 4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine?
4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine has a molecular weight of 253.35 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 114131177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).