N-methyl-1-pyrimidin-2-ylpropan-2-imine

C8H11N3 — CID 123914844

IUPACN-methyl-1-pyrimidin-2-ylpropan-2-imine
SMILESC/N=C(\C)Cc1ncccn1
InChIInChI=1S/C8H11N3/c1-7(9-2)6-8-10-4-3-5-11-8/h3-5H,6H2,1-2H3/b9-7+
InChIKeyAJYHMNKDCMIASL-VQHVLOKHSA-N
MW149.20 g/mol
LogP1.11
Rot. Bonds2

About N-methyl-1-pyrimidin-2-ylpropan-2-imine

N-methyl-1-pyrimidin-2-ylpropan-2-imine (PubChem CID 123914844) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is N-methyl-1-pyrimidin-2-ylpropan-2-imine.

Molecular Properties

Compound NameN-methyl-1-pyrimidin-2-ylpropan-2-imine
PubChem CID123914844
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC NameN-methyl-1-pyrimidin-2-ylpropan-2-imine
SMILESC/N=C(\C)Cc1ncccn1
InChIInChI=1S/C8H11N3/c1-7(9-2)6-8-10-4-3-5-11-8/h3-5H,6H2,1-2H3/b9-7+
InChIKeyAJYHMNKDCMIASL-VQHVLOKHSA-N
XLogP1.11
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-methyl-1-pyrimidin-2-ylpropan-2-imine 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-methylidene-2-pyrimidin-2-ylacetamide
CID 123637455
ethane;pyrimidin-2-ylmethanol
CID 143639944
pyrimidin-2-ylmethanol
CID 2763024
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
propan-2-yl formate;1-pyrimidin-2-ylpropan-2-one
CID 171501049
3-hydroxy-4-pyrimidin-2-ylbutan-2-one
CID 137472987
(2,6-diethylphenyl)iminonickel;2-ethylpyrimidine
CID 87859710
3-methyl-4-pyrimidin-2-ylbutan-2-ol
CID 79424538
2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 114467087
ethane;2-(2-methylpropyl)pyrimidine
CID 169144494
(2R)-1-pyrimidin-2-ylpropan-2-amine
CID 95028657
2-(2-methylprop-2-enyl)pyridine
CID 12534227

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrimidin-2-ylpropan-2-imine?
The IUPAC name of N-methyl-1-pyrimidin-2-ylpropan-2-imine (CID 123914844) is N-methyl-1-pyrimidin-2-ylpropan-2-imine.
What is the SMILES notation for N-methyl-1-pyrimidin-2-ylpropan-2-imine?
The canonical SMILES for N-methyl-1-pyrimidin-2-ylpropan-2-imine is C/N=C(\C)Cc1ncccn1.
What is the InChIKey of N-methyl-1-pyrimidin-2-ylpropan-2-imine?
The InChIKey is AJYHMNKDCMIASL-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H11N3/c1-7(9-2)6-8-10-4-3-5-11-8/h3-5H,6H2,1-2H3/b9-7+.
What are the key properties of N-methyl-1-pyrimidin-2-ylpropan-2-imine?
N-methyl-1-pyrimidin-2-ylpropan-2-imine has a molecular weight of 149.20 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrimidin-2-ylpropan-2-imine is sourced from PubChem (CID 123914844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).