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

C16H23N5 — CID 133460499

IUPAC4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine
SMILESCCc1cc(N2CCCC(n3cc(C)cn3)C2)nc(C)n1
InChIInChI=1S/C16H23N5/c1-4-14-8-16(19-13(3)18-14)20-7-5-6-15(11-20)21-10-12(2)9-17-21/h8-10,15H,4-7,11H2,1-3H3
InChIKeyBFNBNDKWJAPFEZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.69
Rot. Bonds3

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

4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine (PubChem CID 133460499) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine
PubChem CID133460499
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine
SMILESCCc1cc(N2CCCC(n3cc(C)cn3)C2)nc(C)n1
InChIInChI=1S/C16H23N5/c1-4-14-8-16(19-13(3)18-14)20-7-5-6-15(11-20)21-10-12(2)9-17-21/h8-10,15H,4-7,11H2,1-3H3
InChIKeyBFNBNDKWJAPFEZ-UHFFFAOYSA-N
XLogP2.69
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-4-pyridinyl]methanol
CID 138033464
4-tert-butyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine
CID 154778874
4-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133461297
2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 133472763
[3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752882
(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 97055767
4-ethyl-2-methyl-6-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 97210192
1-cyclobutyl-4-methylpyrazole
CID 59225391
2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline
CID 126947471
6-methyl-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 166333710
1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole
CID 126947275
4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 154882608

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine (CID 133460499) is 4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine is CCc1cc(N2CCCC(n3cc(C)cn3)C2)nc(C)n1.
What is the InChIKey of 4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine?
The InChIKey is BFNBNDKWJAPFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-4-14-8-16(19-13(3)18-14)20-7-5-6-15(11-20)21-10-12(2)9-17-21/h8-10,15H,4-7,11H2,1-3H3.
What are the key properties of 4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine?
4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine has a molecular weight of 285.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 133460499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).