1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine

C15H27N3O — CID 102952073

IUPAC1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CCC)c1cc(OC)ncn1
InChIInChI=1S/C15H27N3O/c1-5-7-12(3)9-13(16-8-6-2)14-10-15(19-4)18-11-17-14/h10-13,16H,5-9H2,1-4H3
InChIKeyRJGNMDBPDMLJDI-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.35
Rot. Bonds9

About 1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine

1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine (PubChem CID 102952073) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine
PubChem CID102952073
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CCC)c1cc(OC)ncn1
InChIInChI=1S/C15H27N3O/c1-5-7-12(3)9-13(16-8-6-2)14-10-15(19-4)18-11-17-14/h10-13,16H,5-9H2,1-4H3
InChIKeyRJGNMDBPDMLJDI-UHFFFAOYSA-N
XLogP3.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxypyrimidin-4-yl)-3-methylhexan-1-amine
CID 102950625
1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 102952185
N-ethyl-1-(6-methoxypyrimidin-4-yl)propan-1-amine
CID 102951537
N-[1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 102952007
N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952243
1-(6-methoxypyrimidin-4-yl)-N,2-dimethylpentan-1-amine
CID 107896968
N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952263
3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 115845570
N-ethyl-1-(6-methoxypyrimidin-4-yl)-2-methylbutan-1-amine
CID 102951564
N-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952192
3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
CID 63412327
N-[(2-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952354

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine (CID 102952073) is 1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine is CCCNC(CC(C)CCC)c1cc(OC)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine?
The InChIKey is RJGNMDBPDMLJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-7-12(3)9-13(16-8-6-2)14-10-15(19-4)18-11-17-14/h10-13,16H,5-9H2,1-4H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine?
1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 102952073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).