4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine

C17H25N5O — CID 110101166

IUPAC4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine
SMILESCOCCN1CCCC(c2cc(-c3cc(C)[nH]n3)nc(C)n2)C1
InChIInChI=1S/C17H25N5O/c1-12-9-17(21-20-12)16-10-15(18-13(2)19-16)14-5-4-6-22(11-14)7-8-23-3/h9-10,14H,4-8,11H2,1-3H3,(H,20,21)
InChIKeySSAUGYCWUYFIOF-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.31
Rot. Bonds5

About 4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine

4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine (PubChem CID 110101166) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine
PubChem CID110101166
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine
SMILESCOCCN1CCCC(c2cc(-c3cc(C)[nH]n3)nc(C)n2)C1
InChIInChI=1S/C17H25N5O/c1-12-9-17(21-20-12)16-10-15(18-13(2)19-16)14-5-4-6-22(11-14)7-8-23-3/h9-10,14H,4-8,11H2,1-3H3,(H,20,21)
InChIKeySSAUGYCWUYFIOF-UHFFFAOYSA-N
XLogP2.31
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine?
The IUPAC name of 4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine (CID 110101166) is 4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine.
What is the SMILES notation for 4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine?
The canonical SMILES for 4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine is COCCN1CCCC(c2cc(-c3cc(C)[nH]n3)nc(C)n2)C1.
What is the InChIKey of 4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine?
The InChIKey is SSAUGYCWUYFIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12-9-17(21-20-12)16-10-15(18-13(2)19-16)14-5-4-6-22(11-14)7-8-23-3/h9-10,14H,4-8,11H2,1-3H3,(H,20,21).
What are the key properties of 4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine?
4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine has a molecular weight of 315.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine is sourced from PubChem (CID 110101166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).