4-decyl-6-methoxy-N,N-dimethylpyrimidin-2-amine

C17H31N3O — CID 67329002

IUPAC4-decyl-6-methoxy-N,N-dimethylpyrimidin-2-amine
SMILESCCCCCCCCCCc1cc(OC)nc(N(C)C)n1
InChIInChI=1S/C17H31N3O/c1-5-6-7-8-9-10-11-12-13-15-14-16(21-4)19-17(18-15)20(2)3/h14H,5-13H2,1-4H3
InChIKeyILYSXLBRJIPGQY-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.23
Rot. Bonds11

About 4-decyl-6-methoxy-N,N-dimethylpyrimidin-2-amine

4-decyl-6-methoxy-N,N-dimethylpyrimidin-2-amine (PubChem CID 67329002) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-decyl-6-methoxy-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-decyl-6-methoxy-N,N-dimethylpyrimidin-2-amine
PubChem CID67329002
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name4-decyl-6-methoxy-N,N-dimethylpyrimidin-2-amine
SMILESCCCCCCCCCCc1cc(OC)nc(N(C)C)n1
InChIInChI=1S/C17H31N3O/c1-5-6-7-8-9-10-11-12-13-15-14-16(21-4)19-17(18-15)20(2)3/h14H,5-13H2,1-4H3
InChIKeyILYSXLBRJIPGQY-UHFFFAOYSA-N
XLogP4.23
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-decyl-6-methoxy-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-decyl-6-methoxy-N,N-dimethylpyrimidin-2-amine (CID 67329002) is 4-decyl-6-methoxy-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-decyl-6-methoxy-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-decyl-6-methoxy-N,N-dimethylpyrimidin-2-amine is CCCCCCCCCCc1cc(OC)nc(N(C)C)n1.
What is the InChIKey of 4-decyl-6-methoxy-N,N-dimethylpyrimidin-2-amine?
The InChIKey is ILYSXLBRJIPGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-6-7-8-9-10-11-12-13-15-14-16(21-4)19-17(18-15)20(2)3/h14H,5-13H2,1-4H3.
What are the key properties of 4-decyl-6-methoxy-N,N-dimethylpyrimidin-2-amine?
4-decyl-6-methoxy-N,N-dimethylpyrimidin-2-amine has a molecular weight of 293.45 g/mol, XLogP of 4.23, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-6-methoxy-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 67329002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).