1-(4-amino-5-methylpyrimidin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C14H18N6O2 — CID 56901181

IUPAC1-(4-amino-5-methylpyrimidin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCc1cnc(N2CCC(C(=O)O)(n3cccn3)CC2)nc1N
InChIInChI=1S/C14H18N6O2/c1-10-9-16-13(18-11(10)15)19-7-3-14(4-8-19,12(21)22)20-6-2-5-17-20/h2,5-6,9H,3-4,7-8H2,1H3,(H,21,22)(H2,15,16,18)
InChIKeyXOCZOUPDNBPUSL-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.64
Rot. Bonds3

About 1-(4-amino-5-methylpyrimidin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-(4-amino-5-methylpyrimidin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56901181) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-(4-amino-5-methylpyrimidin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-5-methylpyrimidin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56901181
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name1-(4-amino-5-methylpyrimidin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCc1cnc(N2CCC(C(=O)O)(n3cccn3)CC2)nc1N
InChIInChI=1S/C14H18N6O2/c1-10-9-16-13(18-11(10)15)19-7-3-14(4-8-19,12(21)22)20-6-2-5-17-20/h2,5-6,9H,3-4,7-8H2,1H3,(H,21,22)(H2,15,16,18)
InChIKeyXOCZOUPDNBPUSL-UHFFFAOYSA-N
XLogP0.64
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 170002097
1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56916374
1-(4-aminopyrimidin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56908938
1,1-dioxo-4-pyrazol-1-ylthiane-4-carboxylic acid
CID 82235434
1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56901457
1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56914290
1-(4,6-dimethoxypyrimidin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56904311
1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56915855
1-(1-benzofuran-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56886314
N-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 155873094
4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 53143912
1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56889059

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-methylpyrimidin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-amino-5-methylpyrimidin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56901181) is 1-(4-amino-5-methylpyrimidin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-amino-5-methylpyrimidin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-amino-5-methylpyrimidin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is Cc1cnc(N2CCC(C(=O)O)(n3cccn3)CC2)nc1N.
What is the InChIKey of 1-(4-amino-5-methylpyrimidin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is XOCZOUPDNBPUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-10-9-16-13(18-11(10)15)19-7-3-14(4-8-19,12(21)22)20-6-2-5-17-20/h2,5-6,9H,3-4,7-8H2,1H3,(H,21,22)(H2,15,16,18).
What are the key properties of 1-(4-amino-5-methylpyrimidin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-(4-amino-5-methylpyrimidin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 302.34 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-methylpyrimidin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56901181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).