N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine

C12H19N3O — CID 62749345

IUPACN-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESCCCOCc1nccc(CNC2CC2)n1
InChIInChI=1S/C12H19N3O/c1-2-7-16-9-12-13-6-5-11(15-12)8-14-10-3-4-10/h5-6,10,14H,2-4,7-9H2,1H3
InChIKeyHDRMOGCXSXBGDJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.66
Rot. Bonds7

About N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine

N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 62749345) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID62749345
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESCCCOCc1nccc(CNC2CC2)n1
InChIInChI=1S/C12H19N3O/c1-2-7-16-9-12-13-6-5-11(15-12)8-14-10-3-4-10/h5-6,10,14H,2-4,7-9H2,1H3
InChIKeyHDRMOGCXSXBGDJ-UHFFFAOYSA-N
XLogP1.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.66
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-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine
CID 62747917
N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749177
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62450778
N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine
CID 55119707
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
N-[[1-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 106458377
N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62746833
4-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol
CID 136938634
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719730
N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908631
N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine
CID 63318876
N-[[2-[(2-bromophenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]cyclopropanamine
CID 66145080

Frequently Asked Questions

What is the IUPAC name of N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine (CID 62749345) is N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine is CCCOCc1nccc(CNC2CC2)n1.
What is the InChIKey of N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is HDRMOGCXSXBGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-7-16-9-12-13-6-5-11(15-12)8-14-10-3-4-10/h5-6,10,14H,2-4,7-9H2,1H3.
What are the key properties of N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine?
N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 221.30 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62749345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).