N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine

C12H19N3O — CID 65329120

IUPACN-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2CCOC2)nc1
InChIInChI=1S/C12H19N3O/c1-2-4-13-6-10-7-14-12(15-8-10)11-3-5-16-9-11/h7-8,11,13H,2-6,9H2,1H3
InChIKeyHDDQDLYMHICQAQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.48
Rot. Bonds5

About N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine

N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 65329120) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID65329120
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2CCOC2)nc1
InChIInChI=1S/C12H19N3O/c1-2-4-13-6-10-7-14-12(15-8-10)11-3-5-16-9-11/h7-8,11,13H,2-6,9H2,1H3
InChIKeyHDDQDLYMHICQAQ-UHFFFAOYSA-N
XLogP1.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-(oxolan-3-yl)pyrimidin-5-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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine (CID 65329120) is N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(C2CCOC2)nc1.
What is the InChIKey of N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is HDDQDLYMHICQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-4-13-6-10-7-14-12(15-8-10)11-3-5-16-9-11/h7-8,11,13H,2-6,9H2,1H3.
What are the key properties of N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 65329120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).