2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine

C14H25N3 — CID 79412272

IUPAC2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine
SMILESCCCCc1nc(C)c(CCNCC)c(C)n1
InChIInChI=1S/C14H25N3/c1-5-7-8-14-16-11(3)13(12(4)17-14)9-10-15-6-2/h15H,5-10H2,1-4H3
InChIKeyUQHWDIUQKXUSFE-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.59
Rot. Bonds7

About 2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine

2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine (PubChem CID 79412272) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine
PubChem CID79412272
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine
SMILESCCCCc1nc(C)c(CCNCC)c(C)n1
InChIInChI=1S/C14H25N3/c1-5-7-8-14-16-11(3)13(12(4)17-14)9-10-15-6-2/h15H,5-10H2,1-4H3
InChIKeyUQHWDIUQKXUSFE-UHFFFAOYSA-N
XLogP2.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-ethylethanamine
CID 62744926
N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62745813
N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
CID 79412386
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 62745255
3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylpropan-1-amine
CID 79965289
N-[2-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
CID 115347172
N-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 102929114
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 62744572
2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 79412709
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine
CID 62745596
N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 62744769
2,4-dibutyl-6-propyl-1,3,5-triazine
CID 59908452

Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine?
The IUPAC name of 2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine (CID 79412272) is 2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine is CCCCc1nc(C)c(CCNCC)c(C)n1.
What is the InChIKey of 2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine?
The InChIKey is UQHWDIUQKXUSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-7-8-14-16-11(3)13(12(4)17-14)9-10-15-6-2/h15H,5-10H2,1-4H3.
What are the key properties of 2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine?
2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine has a molecular weight of 235.37 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine is sourced from PubChem (CID 79412272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).