4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine

C17H25N5O — CID 110101165

IUPAC4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine
SMILESCOCCN1CCCC(c2cc(-c3ccnn3C)nc(C)n2)C1
InChIInChI=1S/C17H25N5O/c1-13-19-15(11-16(20-13)17-6-7-18-21(17)2)14-5-4-8-22(12-14)9-10-23-3/h6-7,11,14H,4-5,8-10,12H2,1-3H3
InChIKeyZCVLQWFAPYLGRN-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.01
Rot. Bonds5

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

4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine (PubChem CID 110101165) 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-(2-methylpyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine
PubChem CID110101165
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine
SMILESCOCCN1CCCC(c2cc(-c3ccnn3C)nc(C)n2)C1
InChIInChI=1S/C17H25N5O/c1-13-19-15(11-16(20-13)17-6-7-18-21(17)2)14-5-4-8-22(12-14)9-10-23-3/h6-7,11,14H,4-5,8-10,12H2,1-3H3
InChIKeyZCVLQWFAPYLGRN-UHFFFAOYSA-N
XLogP2.01
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine
CID 110101166
(3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide
CID 124987790
1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124944395
2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine
CID 124989938
2,2-dimethyl-1-[(3R)-3-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 124947365
2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 125012000
1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110101187
2-methyl-4-(2-methylpyrazol-3-yl)-6-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 124968184
2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine
CID 110101190
1-[3-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110101232
2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazine
CID 124955741
2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole
CID 86984025

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine?
The IUPAC name of 4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine (CID 110101165) is 4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine.
What is the SMILES notation for 4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine?
The canonical SMILES for 4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine is COCCN1CCCC(c2cc(-c3ccnn3C)nc(C)n2)C1.
What is the InChIKey of 4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine?
The InChIKey is ZCVLQWFAPYLGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13-19-15(11-16(20-13)17-6-7-18-21(17)2)14-5-4-8-22(12-14)9-10-23-3/h6-7,11,14H,4-5,8-10,12H2,1-3H3.
What are the key properties of 4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine?
4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine has a molecular weight of 315.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine is sourced from PubChem (CID 110101165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).