3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine

C14H25N3O — CID 116731610

IUPAC3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCCC(OC)c1nc(C)c(CCCNC)c(C)n1
InChIInChI=1S/C14H25N3O/c1-6-13(18-5)14-16-10(2)12(11(3)17-14)8-7-9-15-4/h13,15H,6-9H2,1-5H3
InChIKeyWNCQXYLHKNJYHF-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.34
Rot. Bonds7

About 3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine

3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine (PubChem CID 116731610) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
PubChem CID116731610
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCCC(OC)c1nc(C)c(CCCNC)c(C)n1
InChIInChI=1S/C14H25N3O/c1-6-13(18-5)14-16-10(2)12(11(3)17-14)8-7-9-15-4/h13,15H,6-9H2,1-5H3
InChIKeyWNCQXYLHKNJYHF-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

N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
CID 116731643
3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 55230371
3-[2-(1-ethoxy-2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 116731611
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 62745255
N-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
CID 116731637
N-[2-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine
CID 116731690
3-[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 79605208
2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine
CID 116731898
2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-methylethanamine
CID 62746334
3-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 63891555
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116702582
3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 55134669

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine (CID 116731610) is 3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine is CCC(OC)c1nc(C)c(CCCNC)c(C)n1.
What is the InChIKey of 3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
The InChIKey is WNCQXYLHKNJYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-13(18-5)14-16-10(2)12(11(3)17-14)8-7-9-15-4/h13,15H,6-9H2,1-5H3.
What are the key properties of 3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-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 3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 116731610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).