1-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C16H23N7O2 — CID 56896480

IUPAC1-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCC(C)Nc1cc(N2CCC(C(=O)O)(n3cccn3)CC2)nc(N)n1
InChIInChI=1S/C16H23N7O2/c1-11(2)19-12-10-13(21-15(17)20-12)22-8-4-16(5-9-22,14(24)25)23-7-3-6-18-23/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,24,25)(H3,17,19,20,21)
InChIKeyYMLKRZCJIFWDOM-UHFFFAOYSA-N
MW345.41 g/mol
LogP1.16
Rot. Bonds5

About 1-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56896480) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56896480
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name1-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCC(C)Nc1cc(N2CCC(C(=O)O)(n3cccn3)CC2)nc(N)n1
InChIInChI=1S/C16H23N7O2/c1-11(2)19-12-10-13(21-15(17)20-12)22-8-4-16(5-9-22,14(24)25)23-7-3-6-18-23/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,24,25)(H3,17,19,20,21)
InChIKeyYMLKRZCJIFWDOM-UHFFFAOYSA-N
XLogP1.16
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-isopropyl-1H-pyrazol-1-yl)-1-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 56888148
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-[2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56912577
1-[(2-butyl-1H-imidazol-4-yl)methyl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56895252
4-(3-isopropyl-1H-pyrazol-1-yl)-1-[4-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 56905596
1-(5-Fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 172581508
1-[5-Fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 70731285
2-Pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 140983432
1-[6-Amino-2-[[1-[3-[3-(hexan-3-ylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 145051823
2-[2-Methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 149829693
4-Methyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 152268396

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56896480) is 1-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is CC(C)Nc1cc(N2CCC(C(=O)O)(n3cccn3)CC2)nc(N)n1.
What is the InChIKey of 1-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is YMLKRZCJIFWDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-11(2)19-12-10-13(21-15(17)20-12)22-8-4-16(5-9-22,14(24)25)23-7-3-6-18-23/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,24,25)(H3,17,19,20,21).
What are the key properties of 1-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 345.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56896480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).