N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine

C15H19N3O — CID 117231244

IUPACN-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine
SMILESCNCCCOc1cnc(-c2ccccc2C)nc1
InChIInChI=1S/C15H19N3O/c1-12-6-3-4-7-14(12)15-17-10-13(11-18-15)19-9-5-8-16-2/h3-4,6-7,10-11,16H,5,8-9H2,1-2H3
InChIKeyNCKVFLRWIKIFNN-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.44
Rot. Bonds6

About N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine

N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine (PubChem CID 117231244) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine
PubChem CID117231244
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine
SMILESCNCCCOc1cnc(-c2ccccc2C)nc1
InChIInChI=1S/C15H19N3O/c1-12-6-3-4-7-14(12)15-17-10-13(11-18-15)19-9-5-8-16-2/h3-4,6-7,10-11,16H,5,8-9H2,1-2H3
InChIKeyNCKVFLRWIKIFNN-UHFFFAOYSA-N
XLogP2.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[2-(4-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine
CID 117231256
3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 62746134
N-methyl-3-phenoxypropan-1-amine
CID 22067856
3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine
CID 117231271
5-[3-(methylamino)propoxy]pyrimidin-2-amine
CID 117231268
3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol
CID 117231253
N-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine
CID 117231174
3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine
CID 70876394
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 17178031
N-methyl-6-quinolin-3-yloxyhexan-1-amine
CID 107387823
N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine
CID 82559024
N-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116974208

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine?
The IUPAC name of N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine (CID 117231244) is N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine.
What is the SMILES notation for N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine?
The canonical SMILES for N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine is CNCCCOc1cnc(-c2ccccc2C)nc1.
What is the InChIKey of N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine?
The InChIKey is NCKVFLRWIKIFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-6-3-4-7-14(12)15-17-10-13(11-18-15)19-9-5-8-16-2/h3-4,6-7,10-11,16H,5,8-9H2,1-2H3.
What are the key properties of N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine?
N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine is sourced from PubChem (CID 117231244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).