1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C15H20N6O2 — CID 56888971

IUPAC1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCNc1cc(C)nc(N2CCC(C(=O)O)(n3cccn3)CC2)n1
InChIInChI=1S/C15H20N6O2/c1-11-10-12(16-2)19-14(18-11)20-8-4-15(5-9-20,13(22)23)21-7-3-6-17-21/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,22,23)(H,16,18,19)
InChIKeyIQDDDWPGIYSVAX-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.10
Rot. Bonds4

About 1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56888971) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56888971
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCNc1cc(C)nc(N2CCC(C(=O)O)(n3cccn3)CC2)n1
InChIInChI=1S/C15H20N6O2/c1-11-10-12(16-2)19-14(18-11)20-8-4-15(5-9-20,13(22)23)21-7-3-6-17-21/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,22,23)(H,16,18,19)
InChIKeyIQDDDWPGIYSVAX-UHFFFAOYSA-N
XLogP1.10
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-isopropyl-1H-pyrazol-1-yl)-1-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 56888148
4-(3-tert-butyl-1H-pyrazol-1-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 56888482
1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-isopropyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56905619
1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-tert-butyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56909040
1-(4-aminopyrimidin-2-yl)-4-(3-tert-butyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56912523
1-(2-aminopyrimidin-4-yl)-4-(3-tert-butyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 70751067
1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56883670
4-(3-isopropyl-1H-pyrazol-1-yl)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidine-4-carboxylic acid
CID 56896379
4-(3-isopropyl-1H-pyrazol-1-yl)-1-[4-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 56905596
4-(3-tert-butyl-1H-pyrazol-1-yl)-1-[(2-isopropylpyrimidin-4-yl)methyl]piperidine-4-carboxylic acid
CID 70731290
1-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid
CID 43419806
1-[5-Fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 70731285

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56888971) is 1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is CNc1cc(C)nc(N2CCC(C(=O)O)(n3cccn3)CC2)n1.
What is the InChIKey of 1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is IQDDDWPGIYSVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-11-10-12(16-2)19-14(18-11)20-8-4-15(5-9-20,13(22)23)21-7-3-6-17-21/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,22,23)(H,16,18,19).
What are the key properties of 1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 316.37 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56888971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).