4-(2-aminopyrimidin-5-yl)-2-tert-butylpiperidine-1-carboxylic acid

C14H22N4O2 — CID 172792193

IUPAC4-(2-aminopyrimidin-5-yl)-2-tert-butylpiperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(c2cnc(N)nc2)CCN1C(=O)O
InChIInChI=1S/C14H22N4O2/c1-14(2,3)11-6-9(4-5-18(11)13(19)20)10-7-16-12(15)17-8-10/h7-9,11H,4-6H2,1-3H3,(H,19,20)(H2,15,16,17)
InChIKeyPSIXAZCHOWATOX-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.33
Rot. Bonds1

About 4-(2-aminopyrimidin-5-yl)-2-tert-butylpiperidine-1-carboxylic acid

4-(2-aminopyrimidin-5-yl)-2-tert-butylpiperidine-1-carboxylic acid (PubChem CID 172792193) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-2-tert-butylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)-2-tert-butylpiperidine-1-carboxylic acid
PubChem CID172792193
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-(2-aminopyrimidin-5-yl)-2-tert-butylpiperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(c2cnc(N)nc2)CCN1C(=O)O
InChIInChI=1S/C14H22N4O2/c1-14(2,3)11-6-9(4-5-18(11)13(19)20)10-7-16-12(15)17-8-10/h7-9,11H,4-6H2,1-3H3,(H,19,20)(H2,15,16,17)
InChIKeyPSIXAZCHOWATOX-UHFFFAOYSA-N
XLogP2.33
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)-2-tert-butylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)-2-tert-butylpiperidine-1-carboxylic acid (CID 172792193) is 4-(2-aminopyrimidin-5-yl)-2-tert-butylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)-2-tert-butylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-2-tert-butylpiperidine-1-carboxylic acid is CC(C)(C)C1CC(c2cnc(N)nc2)CCN1C(=O)O.
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-2-tert-butylpiperidine-1-carboxylic acid?
The InChIKey is PSIXAZCHOWATOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)11-6-9(4-5-18(11)13(19)20)10-7-16-12(15)17-8-10/h7-9,11H,4-6H2,1-3H3,(H,19,20)(H2,15,16,17).
What are the key properties of 4-(2-aminopyrimidin-5-yl)-2-tert-butylpiperidine-1-carboxylic acid?
4-(2-aminopyrimidin-5-yl)-2-tert-butylpiperidine-1-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-5-yl)-2-tert-butylpiperidine-1-carboxylic acid is sourced from PubChem (CID 172792193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).