N-[[2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-yl]methyl]propan-1-amine

C15H27N3 — CID 114245282

IUPACN-[[2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(CCC(C)(C)C)ncc1C
InChIInChI=1S/C15H27N3/c1-6-9-16-11-13-12(2)10-17-14(18-13)7-8-15(3,4)5/h10,16H,6-9,11H2,1-5H3
InChIKeyGLSQYOWSTFIQAR-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.26
Rot. Bonds6

About N-[[2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-yl]methyl]propan-1-amine

N-[[2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-yl]methyl]propan-1-amine (PubChem CID 114245282) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-yl]methyl]propan-1-amine
PubChem CID114245282
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(CCC(C)(C)C)ncc1C
InChIInChI=1S/C15H27N3/c1-6-9-16-11-13-12(2)10-17-14(18-13)7-8-15(3,4)5/h10,16H,6-9,11H2,1-5H3
InChIKeyGLSQYOWSTFIQAR-UHFFFAOYSA-N
XLogP3.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-yl]methyl]propan-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

Related Compounds

N-[[2-(3,3-dimethylbutyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 114212057
2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine
CID 130494265
N-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine
CID 114206620
N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine
CID 62757310
N-[[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 79964002
N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 106667566
2,4-diethyl-5-methylpyrimidine
CID 59174285
N-tert-butyl-2-methyl-5-(propylaminomethyl)pyrimidin-4-amine
CID 114216522
N-[[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-5-yl]methyl]propan-1-amine
CID 115942748
N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83188978
4-methyl-N,N-dipropyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186192
N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine
CID 62288127

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-yl]methyl]propan-1-amine (CID 114245282) is N-[[2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-yl]methyl]propan-1-amine is CCCNCc1nc(CCC(C)(C)C)ncc1C.
What is the InChIKey of N-[[2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-yl]methyl]propan-1-amine?
The InChIKey is GLSQYOWSTFIQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-9-16-11-13-12(2)10-17-14(18-13)7-8-15(3,4)5/h10,16H,6-9,11H2,1-5H3.
What are the key properties of N-[[2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-yl]methyl]propan-1-amine?
N-[[2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-yl]methyl]propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 114245282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).