1-(2-aminopyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid

C17H24N6O2 — CID 70751067

IUPAC1-(2-aminopyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCC(C)(C)c1ccn(C2(C(=O)O)CCN(c3ccnc(N)n3)CC2)n1
InChIInChI=1S/C17H24N6O2/c1-16(2,3)12-5-9-23(21-12)17(14(24)25)6-10-22(11-7-17)13-4-8-19-15(18)20-13/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,24,25)(H2,18,19,20)
InChIKeyUVJQSGWYCUYKTE-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.63
Rot. Bonds3

About 1-(2-aminopyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid

1-(2-aminopyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 70751067) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(2-aminopyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminopyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID70751067
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-(2-aminopyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCC(C)(C)c1ccn(C2(C(=O)O)CCN(c3ccnc(N)n3)CC2)n1
InChIInChI=1S/C17H24N6O2/c1-16(2,3)12-5-9-23(21-12)17(14(24)25)6-10-22(11-7-17)13-4-8-19-15(18)20-13/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,24,25)(H2,18,19,20)
InChIKeyUVJQSGWYCUYKTE-UHFFFAOYSA-N
XLogP1.63
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-aminopyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 70751067) is 1-(2-aminopyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-aminopyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-aminopyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid is CC(C)(C)c1ccn(C2(C(=O)O)CCN(c3ccnc(N)n3)CC2)n1.
What is the InChIKey of 1-(2-aminopyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is UVJQSGWYCUYKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-16(2,3)12-5-9-23(21-12)17(14(24)25)6-10-22(11-7-17)13-4-8-19-15(18)20-13/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,24,25)(H2,18,19,20).
What are the key properties of 1-(2-aminopyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-(2-aminopyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 344.42 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopyrimidin-4-yl)-4-(3-tert-butylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 70751067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).