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

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Related Compounds

2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine
CID 124942782
4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine
CID 110101165
2,2-dimethyl-1-[(3S)-3-[2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 124961289
N-(2-methoxyethyl)-2-methyl-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-amine
CID 95825107
2-methoxy-1-[(3S)-3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124993641
2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazine
CID 124955741
(3S)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-[(S)-phenylsulfinyl]ethyl]piperidine
CID 98785277
1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 71927062
(3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
CID 97004575
N-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine
CID 95823698
1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 125014709
4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine
CID 95823699

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).