1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid

C11H17N5O2 — CID 122456338

IUPAC1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCNc1cc(N2CCC(C(=O)O)CC2)nc(N)n1
InChIInChI=1S/C11H17N5O2/c1-13-8-6-9(15-11(12)14-8)16-4-2-7(3-5-16)10(17)18/h6-7H,2-5H2,1H3,(H,17,18)(H3,12,13,14,15)
InChIKeyGKRFKVVAGMHPJS-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.40
Rot. Bonds3

About 1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid

1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 122456338) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
PubChem CID122456338
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCNc1cc(N2CCC(C(=O)O)CC2)nc(N)n1
InChIInChI=1S/C11H17N5O2/c1-13-8-6-9(15-11(12)14-8)16-4-2-7(3-5-16)10(17)18/h6-7H,2-5H2,1H3,(H,17,18)(H3,12,13,14,15)
InChIKeyGKRFKVVAGMHPJS-UHFFFAOYSA-N
XLogP0.40
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid (CID 122456338) is 1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid is CNc1cc(N2CCC(C(=O)O)CC2)nc(N)n1.
What is the InChIKey of 1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is GKRFKVVAGMHPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-13-8-6-9(15-11(12)14-8)16-4-2-7(3-5-16)10(17)18/h6-7H,2-5H2,1H3,(H,17,18)(H3,12,13,14,15).
What are the key properties of 1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122456338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).