4-tert-butyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine

C17H25N5 — CID 154778874

IUPAC4-tert-butyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine
SMILESCc1cnn(C2CCCN(c3cc(C(C)(C)C)ncn3)C2)c1
InChIInChI=1S/C17H25N5/c1-13-9-20-22(10-13)14-6-5-7-21(11-14)16-8-15(17(2,3)4)18-12-19-16/h8-10,12,14H,5-7,11H2,1-4H3
InChIKeyTXMZBJQDWQMMFF-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.12
Rot. Bonds2

About 4-tert-butyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine

4-tert-butyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine (PubChem CID 154778874) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-tert-butyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine
PubChem CID154778874
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name4-tert-butyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine
SMILESCc1cnn(C2CCCN(c3cc(C(C)(C)C)ncn3)C2)c1
InChIInChI=1S/C17H25N5/c1-13-9-20-22(10-13)14-6-5-7-21(11-14)16-8-15(17(2,3)4)18-12-19-16/h8-10,12,14H,5-7,11H2,1-4H3
InChIKeyTXMZBJQDWQMMFF-UHFFFAOYSA-N
XLogP3.12
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 166333710
4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine
CID 133460499
[2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-4-pyridinyl]methanol
CID 138033464
1-cyclobutyl-4-methylpyrazole
CID 59225391
tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 126849999
1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole
CID 126947275
2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 119881436
4-methyl-6-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]pyrimidine
CID 95845313
2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline
CID 126947471
1-[1-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948295
4-methyl-1-(1-methylpyrrolidin-3-yl)pyrazole
CID 70661033
1-cyclobutyl-4-methylpyrazole;ethane;methanol
CID 162747933

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-tert-butyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine (CID 154778874) is 4-tert-butyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-tert-butyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-tert-butyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine is Cc1cnn(C2CCCN(c3cc(C(C)(C)C)ncn3)C2)c1.
What is the InChIKey of 4-tert-butyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine?
The InChIKey is TXMZBJQDWQMMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-13-9-20-22(10-13)14-6-5-7-21(11-14)16-8-15(17(2,3)4)18-12-19-16/h8-10,12,14H,5-7,11H2,1-4H3.
What are the key properties of 4-tert-butyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine?
4-tert-butyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine has a molecular weight of 299.42 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 154778874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).