4-amino-1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylic acid

C12H19N5O2 — CID 89442517

IUPAC4-amino-1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCCc1c(N)ncnc1N1CCC(N)(C(=O)O)CC1
InChIInChI=1S/C12H19N5O2/c1-2-8-9(13)15-7-16-10(8)17-5-3-12(14,4-6-17)11(18)19/h7H,2-6,14H2,1H3,(H,18,19)(H2,13,15,16)
InChIKeySKUUJXWPMBFHNV-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.00
Rot. Bonds3

About 4-amino-1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylic acid

4-amino-1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 89442517) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-amino-1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID89442517
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-amino-1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCCc1c(N)ncnc1N1CCC(N)(C(=O)O)CC1
InChIInChI=1S/C12H19N5O2/c1-2-8-9(13)15-7-16-10(8)17-5-3-12(14,4-6-17)11(18)19/h7H,2-6,14H2,1H3,(H,18,19)(H2,13,15,16)
InChIKeySKUUJXWPMBFHNV-UHFFFAOYSA-N
XLogP0.00
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-amino-1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylic acid (CID 89442517) is 4-amino-1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-amino-1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylic acid is CCc1c(N)ncnc1N1CCC(N)(C(=O)O)CC1.
What is the InChIKey of 4-amino-1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is SKUUJXWPMBFHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-2-8-9(13)15-7-16-10(8)17-5-3-12(14,4-6-17)11(18)19/h7H,2-6,14H2,1H3,(H,18,19)(H2,13,15,16).
What are the key properties of 4-amino-1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylic acid?
4-amino-1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 265.32 g/mol, XLogP of 0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 89442517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).