[6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine

C13H18N4O — CID 102999840

IUPAC[6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine
SMILESCc1ccc(OCCc2ccnn2C)c(CN)n1
InChIInChI=1S/C13H18N4O/c1-10-3-4-13(12(9-14)16-10)18-8-6-11-5-7-15-17(11)2/h3-5,7H,6,8-9,14H2,1-2H3
InChIKeyVWSNRFXDMVBXPJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.20
Rot. Bonds5

About [6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine

[6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine (PubChem CID 102999840) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine
PubChem CID102999840
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine
SMILESCc1ccc(OCCc2ccnn2C)c(CN)n1
InChIInChI=1S/C13H18N4O/c1-10-3-4-13(12(9-14)16-10)18-8-6-11-5-7-15-17(11)2/h3-5,7H,6,8-9,14H2,1-2H3
InChIKeyVWSNRFXDMVBXPJ-UHFFFAOYSA-N
XLogP1.20
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]ethanamine
CID 103013161
2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 102999319
[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79163176
2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 103013023
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 114524856
[3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine
CID 79150713
4-bromo-3-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 103009202
2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 107700474
(3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine
CID 79150479
[3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79150480
5-[2-[2-(bromomethyl)-4-methylphenoxy]ethyl]-1-methylpyrazole
CID 103003791
[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine
CID 113326257

Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine?
The IUPAC name of [6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine (CID 102999840) is [6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine is Cc1ccc(OCCc2ccnn2C)c(CN)n1.
What is the InChIKey of [6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine?
The InChIKey is VWSNRFXDMVBXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-3-4-13(12(9-14)16-10)18-8-6-11-5-7-15-17(11)2/h3-5,7H,6,8-9,14H2,1-2H3.
What are the key properties of [6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine?
[6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine is sourced from PubChem (CID 102999840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).