1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine

C13H20N6O — CID 102951147

IUPAC1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCCn1ncnc1CC(NC)c1cc(OC)ncn1
InChIInChI=1S/C13H20N6O/c1-4-5-19-12(16-9-18-19)6-10(14-2)11-7-13(20-3)17-8-15-11/h7-10,14H,4-6H2,1-3H3
InChIKeyOUEOUVVUXMIHIG-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.99
Rot. Bonds7

About 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine

1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 102951147) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID102951147
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCCn1ncnc1CC(NC)c1cc(OC)ncn1
InChIInChI=1S/C13H20N6O/c1-4-5-19-12(16-9-18-19)6-10(14-2)11-7-13(20-3)17-8-15-11/h7-10,14H,4-6H2,1-3H3
InChIKeyOUEOUVVUXMIHIG-UHFFFAOYSA-N
XLogP0.99
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102951077
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 102951072
1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105065787
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 102951016
1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002993
N-ethyl-1-(6-methoxypyrimidin-4-yl)propan-1-amine
CID 102951537
1-(6-methoxypyrimidin-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 102950360
1-(6-methoxypyrimidin-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 102950952
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 102951244
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 114906400
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002924
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 102951091

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine (CID 102951147) is 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine is CCCn1ncnc1CC(NC)c1cc(OC)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is OUEOUVVUXMIHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-4-5-19-12(16-9-18-19)6-10(14-2)11-7-13(20-3)17-8-15-11/h7-10,14H,4-6H2,1-3H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 276.34 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 102951147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).