N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine

C13H23N3O — CID 80861146

IUPACN-ethyl-4-hexoxy-6-methylpyrimidin-2-amine
SMILESCCCCCCOc1cc(C)nc(NCC)n1
InChIInChI=1S/C13H23N3O/c1-4-6-7-8-9-17-12-10-11(3)15-13(16-12)14-5-2/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyUIOFEGQKTINKMC-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.18
Rot. Bonds8

About N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine

N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine (PubChem CID 80861146) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-hexoxy-6-methylpyrimidin-2-amine
PubChem CID80861146
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-ethyl-4-hexoxy-6-methylpyrimidin-2-amine
SMILESCCCCCCOc1cc(C)nc(NCC)n1
InChIInChI=1S/C13H23N3O/c1-4-6-7-8-9-17-12-10-11(3)15-13(16-12)14-5-2/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyUIOFEGQKTINKMC-UHFFFAOYSA-N
XLogP3.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.18
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-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
4-hexoxy-N,6-dimethylpyrimidin-2-amine
CID 80862000
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
N-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine
CID 103176501
4-(2-cyclopropylethoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 106207480
2-N,4-N-diethyl-6-octadecoxy-1,3,5-triazine-2,4-diamine
CID 146196905
2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine
CID 3103369
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
CID 114131177
4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine
CID 112637443

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine (CID 80861146) is N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine is CCCCCCOc1cc(C)nc(NCC)n1.
What is the InChIKey of N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine?
The InChIKey is UIOFEGQKTINKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-6-7-8-9-17-12-10-11(3)15-13(16-12)14-5-2/h10H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine?
N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine is sourced from PubChem (CID 80861146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).