1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid

C11H16N4O2 — CID 170002097

IUPAC1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCc1cnc(N2CCC(C(=O)O)CC2)nc1N
InChIInChI=1S/C11H16N4O2/c1-7-6-13-11(14-9(7)12)15-4-2-8(3-5-15)10(16)17/h6,8H,2-5H2,1H3,(H,16,17)(H2,12,13,14)
InChIKeyDRYSPWZPKJRZGB-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.67
Rot. Bonds2

About 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid

1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 170002097) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID170002097
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCc1cnc(N2CCC(C(=O)O)CC2)nc1N
InChIInChI=1S/C11H16N4O2/c1-7-6-13-11(14-9(7)12)15-4-2-8(3-5-15)10(16)17/h6,8H,2-5H2,1H3,(H,16,17)(H2,12,13,14)
InChIKeyDRYSPWZPKJRZGB-UHFFFAOYSA-N
XLogP0.67
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid (CID 170002097) is 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid is Cc1cnc(N2CCC(C(=O)O)CC2)nc1N.
What is the InChIKey of 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is DRYSPWZPKJRZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-6-13-11(14-9(7)12)15-4-2-8(3-5-15)10(16)17/h6,8H,2-5H2,1H3,(H,16,17)(H2,12,13,14).
What are the key properties of 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 170002097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).