N-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine

C15H27N3O — CID 82454405

IUPACN-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine
SMILESCCCCOc1cc(NC(C)CC)nc(CCC)n1
InChIInChI=1S/C15H27N3O/c1-5-8-10-19-15-11-14(16-12(4)7-3)17-13(18-15)9-6-2/h11-12H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyRGGTZTVEHZBMJS-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.82
Rot. Bonds9

About N-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine

N-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine (PubChem CID 82454405) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine
PubChem CID82454405
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine
SMILESCCCCOc1cc(NC(C)CC)nc(CCC)n1
InChIInChI=1S/C15H27N3O/c1-5-8-10-19-15-11-14(16-12(4)7-3)17-13(18-15)9-6-2/h11-12H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyRGGTZTVEHZBMJS-UHFFFAOYSA-N
XLogP3.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.82
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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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine (CID 82454405) is N-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine is CCCCOc1cc(NC(C)CC)nc(CCC)n1.
What is the InChIKey of N-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine?
The InChIKey is RGGTZTVEHZBMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-8-10-19-15-11-14(16-12(4)7-3)17-13(18-15)9-6-2/h11-12H,5-10H2,1-4H3,(H,16,17,18).
What are the key properties of N-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine?
N-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine has a molecular weight of 265.40 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine is sourced from PubChem (CID 82454405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).