1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C16H22N6O3 — CID 56902633

IUPAC1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCC(C)Oc1cc(N2CCC(C(=O)O)(n3cccn3)CC2)nc(N)n1
InChIInChI=1S/C16H22N6O3/c1-11(2)25-13-10-12(19-15(17)20-13)21-8-4-16(5-9-21,14(23)24)22-7-3-6-18-22/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,23,24)(H2,17,19,20)
InChIKeyXNWXUBBCDVXLMY-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.12
Rot. Bonds5

About 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56902633) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56902633
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCC(C)Oc1cc(N2CCC(C(=O)O)(n3cccn3)CC2)nc(N)n1
InChIInChI=1S/C16H22N6O3/c1-11(2)25-13-10-12(19-15(17)20-13)21-8-4-16(5-9-21,14(23)24)22-7-3-6-18-22/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,23,24)(H2,17,19,20)
InChIKeyXNWXUBBCDVXLMY-UHFFFAOYSA-N
XLogP1.12
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56902633) is 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is CC(C)Oc1cc(N2CCC(C(=O)O)(n3cccn3)CC2)nc(N)n1.
What is the InChIKey of 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is XNWXUBBCDVXLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-11(2)25-13-10-12(19-15(17)20-13)21-8-4-16(5-9-21,14(23)24)22-7-3-6-18-22/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,23,24)(H2,17,19,20).
What are the key properties of 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 346.39 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56902633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).