1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid

C13H20N4O2 — CID 113193887

IUPAC1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCC(C)Nc1nccc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C13H20N4O2/c1-9(2)15-13-14-6-3-11(16-13)17-7-4-10(5-8-17)12(18)19/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,18,19)(H,14,15,16)
InChIKeyRAXVARDNQWAYNL-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.60
Rot. Bonds4

About 1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid

1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 113193887) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
PubChem CID113193887
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCC(C)Nc1nccc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C13H20N4O2/c1-9(2)15-13-14-6-3-11(16-13)17-7-4-10(5-8-17)12(18)19/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,18,19)(H,14,15,16)
InChIKeyRAXVARDNQWAYNL-UHFFFAOYSA-N
XLogP1.60
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 70943141
1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80754186
1-[2-(2-chloroanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194000
1-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193922
1-[2-(2-ethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193987
4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890728
N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884450
4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112885071
4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine
CID 112883747
1-[2-(3-phenylpropylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193957
2-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 107553189
[4-(4-propan-2-ylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 103504775

Frequently Asked Questions

What is the IUPAC name of 1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid (CID 113193887) is 1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid is CC(C)Nc1nccc(N2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is RAXVARDNQWAYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)15-13-14-6-3-11(16-13)17-7-4-10(5-8-17)12(18)19/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,18,19)(H,14,15,16).
What are the key properties of 1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 264.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 113193887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).