6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine

C12H17N5O — CID 61351162

IUPAC6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
SMILESCCOc1nc(NCc2cnn(C)c2)ccc1N
InChIInChI=1S/C12H17N5O/c1-3-18-12-10(13)4-5-11(16-12)14-6-9-7-15-17(2)8-9/h4-5,7-8H,3,6,13H2,1-2H3,(H,14,16)
InChIKeyGAJMZEMKCFMSLS-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.41
Rot. Bonds5

About 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine

6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine (PubChem CID 61351162) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
PubChem CID61351162
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
SMILESCCOc1nc(NCc2cnn(C)c2)ccc1N
InChIInChI=1S/C12H17N5O/c1-3-18-12-10(13)4-5-11(16-12)14-6-9-7-15-17(2)8-9/h4-5,7-8H,3,6,13H2,1-2H3,(H,14,16)
InChIKeyGAJMZEMKCFMSLS-UHFFFAOYSA-N
XLogP1.41
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79826024
6-ethoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,5-diamine
CID 43261190
6-(cyclopropylmethoxy)-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,5-diamine
CID 80685641
6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80816721
6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66329179
N-[(1-methylpyrazol-4-yl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 78988402
6-ethoxy-2-N-[(3-methoxyphenyl)methyl]pyridine-2,5-diamine
CID 61028652
6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80816894
6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66327674
6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine
CID 80680913
6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 114954533
2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine
CID 61348476

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine (CID 61351162) is 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine is CCOc1nc(NCc2cnn(C)c2)ccc1N.
What is the InChIKey of 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
The InChIKey is GAJMZEMKCFMSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-18-12-10(13)4-5-11(16-12)14-6-9-7-15-17(2)8-9/h4-5,7-8H,3,6,13H2,1-2H3,(H,14,16).
What are the key properties of 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine has a molecular weight of 247.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 61351162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).