2-[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine

C14H25N3O — CID 62756194

IUPAC2-[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1c(C)nc(COC)nc1C
InChIInChI=1S/C14H25N3O/c1-6-7-15-8-10(2)14-11(3)16-13(9-18-5)17-12(14)4/h10,15H,6-9H2,1-5H3
InChIKeyMUJBNLNJXDSEPX-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.34
Rot. Bonds7

About 2-[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine

2-[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine (PubChem CID 62756194) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine
PubChem CID62756194
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1c(C)nc(COC)nc1C
InChIInChI=1S/C14H25N3O/c1-6-7-15-8-10(2)14-11(3)16-13(9-18-5)17-12(14)4/h10,15H,6-9H2,1-5H3
InChIKeyMUJBNLNJXDSEPX-UHFFFAOYSA-N
XLogP2.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.34
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

2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-propylpropan-1-amine
CID 62757647
2-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propylpropan-1-amine
CID 62757648
2-(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62757838
2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-propylpropan-1-amine
CID 65197850
2-(methoxymethyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 62191495
2-[2-(1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine
CID 79961489
2-[2-(2-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine
CID 106815566
2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 55209434
5-bromo-2-(methoxymethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306879
2-[2-(2-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 62758023
2-[2-(furan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine
CID 62757289
2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine?
The IUPAC name of 2-[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine (CID 62756194) is 2-[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 2-[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine?
The canonical SMILES for 2-[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine is CCCNCC(C)c1c(C)nc(COC)nc1C.
What is the InChIKey of 2-[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine?
The InChIKey is MUJBNLNJXDSEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-7-15-8-10(2)14-11(3)16-13(9-18-5)17-12(14)4/h10,15H,6-9H2,1-5H3.
What are the key properties of 2-[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine?
2-[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 62756194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).