4-hexoxy-N,6-dimethylpyrimidin-2-amine

C12H21N3O — CID 80862000

IUPAC4-hexoxy-N,6-dimethylpyrimidin-2-amine
SMILESCCCCCCOc1cc(C)nc(NC)n1
InChIInChI=1S/C12H21N3O/c1-4-5-6-7-8-16-11-9-10(2)14-12(13-3)15-11/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyMGQHTIPIPDUGCB-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.79
Rot. Bonds7

About 4-hexoxy-N,6-dimethylpyrimidin-2-amine

4-hexoxy-N,6-dimethylpyrimidin-2-amine (PubChem CID 80862000) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-hexoxy-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-hexoxy-N,6-dimethylpyrimidin-2-amine
PubChem CID80862000
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-hexoxy-N,6-dimethylpyrimidin-2-amine
SMILESCCCCCCOc1cc(C)nc(NC)n1
InChIInChI=1S/C12H21N3O/c1-4-5-6-7-8-16-11-9-10(2)14-12(13-3)15-11/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyMGQHTIPIPDUGCB-UHFFFAOYSA-N
XLogP2.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.79
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

N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine
CID 80861146
4-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
4-(2-ethoxyethoxy)-N,6-dimethylpyrimidin-2-amine
CID 80858314
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
4-[2-(dimethylamino)ethoxy]-N,6-dimethylpyrimidin-2-amine
CID 80870972
4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine
CID 80861413
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine
CID 104568171
N,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine
CID 80859312
N,4-dimethyl-6-(2-methylpropoxy)pyrimidin-2-amine
CID 80860281
N,4-dimethyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-amine
CID 80871543
1,1-dimethyl-2-(4-methyl-6-propoxypyrimidin-2-yl)hydrazine
CID 112638424
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-hexoxy-N,6-dimethylpyrimidin-2-amine (CID 80862000) is 4-hexoxy-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-hexoxy-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-hexoxy-N,6-dimethylpyrimidin-2-amine is CCCCCCOc1cc(C)nc(NC)n1.
What is the InChIKey of 4-hexoxy-N,6-dimethylpyrimidin-2-amine?
The InChIKey is MGQHTIPIPDUGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-5-6-7-8-16-11-9-10(2)14-12(13-3)15-11/h9H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of 4-hexoxy-N,6-dimethylpyrimidin-2-amine?
4-hexoxy-N,6-dimethylpyrimidin-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80862000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).