1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

C17H24N6O2 — CID 56905619

IUPAC1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cc(N2CCC(C(=O)O)(n3ccc(C(C)C)n3)CC2)nc(N)n1
InChIInChI=1S/C17H24N6O2/c1-11(2)13-4-7-23(21-13)17(15(24)25)5-8-22(9-6-17)14-10-12(3)19-16(18)20-14/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,24,25)(H2,18,19,20)
InChIKeyVSKUJYMTDARUDA-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.77
Rot. Bonds4

About 1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56905619) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56905619
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cc(N2CCC(C(=O)O)(n3ccc(C(C)C)n3)CC2)nc(N)n1
InChIInChI=1S/C17H24N6O2/c1-11(2)13-4-7-23(21-13)17(15(24)25)5-8-22(9-6-17)14-10-12(3)19-16(18)20-14/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,24,25)(H2,18,19,20)
InChIKeyVSKUJYMTDARUDA-UHFFFAOYSA-N
XLogP1.77
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.77
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-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56905619) is 1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is Cc1cc(N2CCC(C(=O)O)(n3ccc(C(C)C)n3)CC2)nc(N)n1.
What is the InChIKey of 1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is VSKUJYMTDARUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-11(2)13-4-7-23(21-13)17(15(24)25)5-8-22(9-6-17)14-10-12(3)19-16(18)20-14/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,24,25)(H2,18,19,20).
What are the key properties of 1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 344.42 g/mol, XLogP of 1.77, 4 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-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56905619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).