N-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine

C15H19N3 — CID 116892926

IUPACN-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine
SMILESCNCCCc1nc(C)cc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3/c1-12-11-14(13-7-4-3-5-8-13)18-15(17-12)9-6-10-16-2/h3-5,7-8,11,16H,6,9-10H2,1-2H3
InChIKeyZDFZPUQPNRJQFT-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.60
Rot. Bonds5

About N-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine

N-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine (PubChem CID 116892926) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine
PubChem CID116892926
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine
SMILESCNCCCc1nc(C)cc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3/c1-12-11-14(13-7-4-3-5-8-13)18-15(17-12)9-6-10-16-2/h3-5,7-8,11,16H,6,9-10H2,1-2H3
InChIKeyZDFZPUQPNRJQFT-UHFFFAOYSA-N
XLogP2.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine (CID 116892926) is N-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine is CNCCCc1nc(C)cc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine?
The InChIKey is ZDFZPUQPNRJQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-11-14(13-7-4-3-5-8-13)18-15(17-12)9-6-10-16-2/h3-5,7-8,11,16H,6,9-10H2,1-2H3.
What are the key properties of N-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine?
N-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine is sourced from PubChem (CID 116892926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).