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'}

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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).