3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine

C8H12ClN3O — CID 117231271

IUPAC3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine
SMILESCNCCCOc1cnc(Cl)nc1
InChIInChI=1S/C8H12ClN3O/c1-10-3-2-4-13-7-5-11-8(9)12-6-7/h5-6,10H,2-4H2,1H3
InChIKeyXKSRWGQKEPAXOG-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.12
Rot. Bonds5

About 3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine

3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine (PubChem CID 117231271) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine
PubChem CID117231271
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine
SMILESCNCCCOc1cnc(Cl)nc1
InChIInChI=1S/C8H12ClN3O/c1-10-3-2-4-13-7-5-11-8(9)12-6-7/h5-6,10H,2-4H2,1H3
InChIKeyXKSRWGQKEPAXOG-UHFFFAOYSA-N
XLogP1.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-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

5-[3-(methylamino)propoxy]pyrimidin-2-amine
CID 117231268
N-methyl-3-[2-(4-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine
CID 117231256
N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine
CID 117231244
N-methyl-3-phenoxypropan-1-amine
CID 22067856
5-(4-chlorophenoxy)-N-methylpentan-1-amine
CID 62454431
3-[(5-methoxy-3-pyridinyl)oxy]-N-methylpropan-1-amine
CID 10176531
3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010528
4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine
CID 145261843
2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine
CID 162753112
3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol
CID 117231253
2-chloro-5-(methoxymethoxy)pyrimidine
CID 156871800
3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine
CID 70876394

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine?
The IUPAC name of 3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine (CID 117231271) is 3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine?
The canonical SMILES for 3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine is CNCCCOc1cnc(Cl)nc1.
What is the InChIKey of 3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine?
The InChIKey is XKSRWGQKEPAXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-10-3-2-4-13-7-5-11-8(9)12-6-7/h5-6,10H,2-4H2,1H3.
What are the key properties of 3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine?
3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine has a molecular weight of 201.66 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine is sourced from PubChem (CID 117231271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).