1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid

C18H26N6O2 — CID 56909040

IUPAC1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cc(N2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)nc(N)n1
InChIInChI=1S/C18H26N6O2/c1-12-11-14(21-16(19)20-12)23-9-6-18(7-10-23,15(25)26)24-8-5-13(22-24)17(2,3)4/h5,8,11H,6-7,9-10H2,1-4H3,(H,25,26)(H2,19,20,21)
InChIKeyMCPHLUPBJSXPED-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.94
Rot. Bonds3

About 1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid

1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56909040) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56909040
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cc(N2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)nc(N)n1
InChIInChI=1S/C18H26N6O2/c1-12-11-14(21-16(19)20-12)23-9-6-18(7-10-23,15(25)26)24-8-5-13(22-24)17(2,3)4/h5,8,11H,6-7,9-10H2,1-4H3,(H,25,26)(H2,19,20,21)
InChIKeyMCPHLUPBJSXPED-UHFFFAOYSA-N
XLogP1.94
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56909040) is 1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid is Cc1cc(N2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)nc(N)n1.
What is the InChIKey of 1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is MCPHLUPBJSXPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-12-11-14(21-16(19)20-12)23-9-6-18(7-10-23,15(25)26)24-8-5-13(22-24)17(2,3)4/h5,8,11H,6-7,9-10H2,1-4H3,(H,25,26)(H2,19,20,21).
What are the key properties of 1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 358.45 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56909040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).