3-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine

C15H27N3 — CID 63891555

IUPAC3-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1c(C)nc(CC(C)(C)C)nc1C
InChIInChI=1S/C15H27N3/c1-11-13(8-7-9-16-6)12(2)18-14(17-11)10-15(3,4)5/h16H,7-10H2,1-6H3
InChIKeyPUMWZWHZYLCKEQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.83
Rot. Bonds5

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

3-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine (PubChem CID 63891555) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
PubChem CID63891555
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1c(C)nc(CC(C)(C)C)nc1C
InChIInChI=1S/C15H27N3/c1-11-13(8-7-9-16-6)12(2)18-14(17-11)10-15(3,4)5/h16H,7-10H2,1-6H3
InChIKeyPUMWZWHZYLCKEQ-UHFFFAOYSA-N
XLogP2.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.83
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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Related Compounds

3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 62745255
2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-methylethanamine
CID 62746334
3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 55134669
3-[2-(1-ethoxy-2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 116731611
3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 55230371
3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 62745440
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine
CID 23006357
3-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 65389885
3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 116731610
3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 62746134
3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115084234
[2-(2,2-dimethylpropyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
CID 63890900

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine (CID 63891555) is 3-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine is CNCCCc1c(C)nc(CC(C)(C)C)nc1C.
What is the InChIKey of 3-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
The InChIKey is PUMWZWHZYLCKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-11-13(8-7-9-16-6)12(2)18-14(17-11)10-15(3,4)5/h16H,7-10H2,1-6H3.
What are the key properties of 3-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
3-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 63891555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).