3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine

C14H25N3 — CID 55230371

IUPAC3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
SMILESCCC(C)c1nc(C)c(CCCNC)c(C)n1
InChIInChI=1S/C14H25N3/c1-6-10(2)14-16-11(3)13(12(4)17-14)8-7-9-15-5/h10,15H,6-9H2,1-5H3
InChIKeyWYGHTNIRHFHQRG-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.76
Rot. Bonds6

About 3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine

3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine (PubChem CID 55230371) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
PubChem CID55230371
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
SMILESCCC(C)c1nc(C)c(CCCNC)c(C)n1
InChIInChI=1S/C14H25N3/c1-6-10(2)14-16-11(3)13(12(4)17-14)8-7-9-15-5/h10,15H,6-9H2,1-5H3
InChIKeyWYGHTNIRHFHQRG-UHFFFAOYSA-N
XLogP2.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine (CID 55230371) is 3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine is CCC(C)c1nc(C)c(CCCNC)c(C)n1.
What is the InChIKey of 3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine?
The InChIKey is WYGHTNIRHFHQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-6-10(2)14-16-11(3)13(12(4)17-14)8-7-9-15-5/h10,15H,6-9H2,1-5H3.
What are the key properties of 3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine?
3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 55230371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).