N-[[2-(3-methoxypropyl)-5-methylpyrimidin-4-yl]methyl]cyclopropanamine

C13H21N3O — CID 114245353

IUPACN-[[2-(3-methoxypropyl)-5-methylpyrimidin-4-yl]methyl]cyclopropanamine
SMILESCOCCCc1ncc(C)c(CNC2CC2)n1
InChIInChI=1S/C13H21N3O/c1-10-8-15-13(4-3-7-17-2)16-12(10)9-14-11-5-6-11/h8,11,14H,3-7,9H2,1-2H3
InChIKeyGGSSWGLANSDRFD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.62
Rot. Bonds7

About N-[[2-(3-methoxypropyl)-5-methylpyrimidin-4-yl]methyl]cyclopropanamine

N-[[2-(3-methoxypropyl)-5-methylpyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 114245353) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[2-(3-methoxypropyl)-5-methylpyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-methoxypropyl)-5-methylpyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID114245353
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[[2-(3-methoxypropyl)-5-methylpyrimidin-4-yl]methyl]cyclopropanamine
SMILESCOCCCc1ncc(C)c(CNC2CC2)n1
InChIInChI=1S/C13H21N3O/c1-10-8-15-13(4-3-7-17-2)16-12(10)9-14-11-5-6-11/h8,11,14H,3-7,9H2,1-2H3
InChIKeyGGSSWGLANSDRFD-UHFFFAOYSA-N
XLogP1.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-(3-methoxypropyl)-5-methylpyrimidin-4-yl]methyl]cyclopropanamine 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-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 65093739
N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172064
N-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 114245322
N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 59494303
N-[[3-(2-methoxyethyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172121
N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 43276814
(1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431529
N-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine
CID 81425997
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524754
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66146516
N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103180751
5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 63008122

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxypropyl)-5-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-methoxypropyl)-5-methylpyrimidin-4-yl]methyl]cyclopropanamine (CID 114245353) is N-[[2-(3-methoxypropyl)-5-methylpyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-methoxypropyl)-5-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-methoxypropyl)-5-methylpyrimidin-4-yl]methyl]cyclopropanamine is COCCCc1ncc(C)c(CNC2CC2)n1.
What is the InChIKey of N-[[2-(3-methoxypropyl)-5-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is GGSSWGLANSDRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-8-15-13(4-3-7-17-2)16-12(10)9-14-11-5-6-11/h8,11,14H,3-7,9H2,1-2H3.
What are the key properties of N-[[2-(3-methoxypropyl)-5-methylpyrimidin-4-yl]methyl]cyclopropanamine?
N-[[2-(3-methoxypropyl)-5-methylpyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 235.33 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxypropyl)-5-methylpyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114245353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).