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

C16H27N3 — CID 107924277

IUPAC3-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1c(C)nc(C2CC2(C)C)nc1C
InChIInChI=1S/C16H27N3/c1-6-17-9-7-8-13-11(2)18-15(19-12(13)3)14-10-16(14,4)5/h14,17H,6-10H2,1-5H3
InChIKeyGJCIBQFGZVBXOH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.15
Rot. Bonds6

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

3-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine (PubChem CID 107924277) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine
PubChem CID107924277
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1c(C)nc(C2CC2(C)C)nc1C
InChIInChI=1S/C16H27N3/c1-6-17-9-7-8-13-11(2)18-15(19-12(13)3)14-10-16(14,4)5/h14,17H,6-10H2,1-5H3
InChIKeyGJCIBQFGZVBXOH-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine?
The IUPAC name of 3-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine (CID 107924277) is 3-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 3-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 3-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine is CCNCCCc1c(C)nc(C2CC2(C)C)nc1C.
What is the InChIKey of 3-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine?
The InChIKey is GJCIBQFGZVBXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-6-17-9-7-8-13-11(2)18-15(19-12(13)3)14-10-16(14,4)5/h14,17H,6-10H2,1-5H3.
What are the key properties of 3-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine?
3-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 107924277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).