N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine

C11H19N3O — CID 106451723

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine
SMILESCCCOCCNCc1ccnc(C)n1
InChIInChI=1S/C11H19N3O/c1-3-7-15-8-6-12-9-11-4-5-13-10(2)14-11/h4-5,12H,3,6-9H2,1-2H3
InChIKeyMNEIWEHHINHFSW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.30
Rot. Bonds7

About N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine

N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine (PubChem CID 106451723) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine
PubChem CID106451723
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine
SMILESCCCOCCNCc1ccnc(C)n1
InChIInChI=1S/C11H19N3O/c1-3-7-15-8-6-12-9-11-4-5-13-10(2)14-11/h4-5,12H,3,6-9H2,1-2H3
InChIKeyMNEIWEHHINHFSW-UHFFFAOYSA-N
XLogP1.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.30
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-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
2-but-3-enoxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 106397557
2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]acetamide
CID 106236339
2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 114465996
2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate
CID 83211810
1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 60970855
N'-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 107445412
N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 116615427
4,4,4-trifluoro-N-[(2-methylpyrimidin-4-yl)methyl]butan-1-amine
CID 115513579
N'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide
CID 114266326
N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine
CID 62747917
7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine
CID 62747506

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine (CID 106451723) is N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine is CCCOCCNCc1ccnc(C)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine?
The InChIKey is MNEIWEHHINHFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-7-15-8-6-12-9-11-4-5-13-10(2)14-11/h4-5,12H,3,6-9H2,1-2H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine?
N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine is sourced from PubChem (CID 106451723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).