4-amino-1-[5-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid

C11H17N5O2 — CID 146340400

IUPAC4-amino-1-[5-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid
SMILESCNc1cnc(N2CCC(N)(C(=O)O)CC2)nc1
InChIInChI=1S/C11H17N5O2/c1-13-8-6-14-10(15-7-8)16-4-2-11(12,3-5-16)9(17)18/h6-7,13H,2-5,12H2,1H3,(H,17,18)
InChIKeyIJHGBDDMCVQKGE-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.10
Rot. Bonds3

About 4-amino-1-[5-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid

4-amino-1-[5-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid (PubChem CID 146340400) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-amino-1-[5-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-[5-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid
PubChem CID146340400
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name4-amino-1-[5-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid
SMILESCNc1cnc(N2CCC(N)(C(=O)O)CC2)nc1
InChIInChI=1S/C11H17N5O2/c1-13-8-6-14-10(15-7-8)16-4-2-11(12,3-5-16)9(17)18/h6-7,13H,2-5,12H2,1H3,(H,17,18)
InChIKeyIJHGBDDMCVQKGE-UHFFFAOYSA-N
XLogP-0.10
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 ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[5-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 4-amino-1-[5-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid (CID 146340400) is 4-amino-1-[5-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-[5-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-amino-1-[5-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid is CNc1cnc(N2CCC(N)(C(=O)O)CC2)nc1.
What is the InChIKey of 4-amino-1-[5-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid?
The InChIKey is IJHGBDDMCVQKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-13-8-6-14-10(15-7-8)16-4-2-11(12,3-5-16)9(17)18/h6-7,13H,2-5,12H2,1H3,(H,17,18).
What are the key properties of 4-amino-1-[5-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid?
4-amino-1-[5-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[5-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 146340400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).