N-[[6-methyl-2-(thiolan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine

C13H21N3S — CID 80637388

IUPACN-[[6-methyl-2-(thiolan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(C2CCCS2)n1
InChIInChI=1S/C13H21N3S/c1-3-6-14-9-11-8-10(2)15-13(16-11)12-5-4-7-17-12/h8,12,14H,3-7,9H2,1-2H3
InChIKeyIHFZFHJZKXLLTK-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.85
Rot. Bonds5

About N-[[6-methyl-2-(thiolan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine

N-[[6-methyl-2-(thiolan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine (PubChem CID 80637388) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-[[6-methyl-2-(thiolan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-methyl-2-(thiolan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine
PubChem CID80637388
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-[[6-methyl-2-(thiolan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(C2CCCS2)n1
InChIInChI=1S/C13H21N3S/c1-3-6-14-9-11-8-10(2)15-13(16-11)12-5-4-7-17-12/h8,12,14H,3-7,9H2,1-2H3
InChIKeyIHFZFHJZKXLLTK-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[6-methyl-2-(thiolan-2-yl)pyrimidin-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-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 64986163
N-[(2-cyclooctyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 80609922
N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 114221160
N-[[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 64986210
6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine
CID 80637213
N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine
CID 65399678
N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 65333931
6-propyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80636664
2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
CID 62745005
2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 65334028
N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65400572
N-[[2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]methyl]propan-1-amine
CID 113299857

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-2-(thiolan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-methyl-2-(thiolan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine (CID 80637388) is N-[[6-methyl-2-(thiolan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-methyl-2-(thiolan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-methyl-2-(thiolan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine is CCCNCc1cc(C)nc(C2CCCS2)n1.
What is the InChIKey of N-[[6-methyl-2-(thiolan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine?
The InChIKey is IHFZFHJZKXLLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-3-6-14-9-11-8-10(2)15-13(16-11)12-5-4-7-17-12/h8,12,14H,3-7,9H2,1-2H3.
What are the key properties of N-[[6-methyl-2-(thiolan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine?
N-[[6-methyl-2-(thiolan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine has a molecular weight of 251.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-2-(thiolan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 80637388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).