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

C12H18N4O2 — CID 64829652

IUPAC1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCN(C)c1nccc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C12H18N4O2/c1-15(2)12-13-6-3-10(14-12)16-7-4-9(5-8-16)11(17)18/h3,6,9H,4-5,7-8H2,1-2H3,(H,17,18)
InChIKeyCTFQROYSACSRSC-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.84
Rot. Bonds3

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

1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 64829652) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
PubChem CID64829652
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCN(C)c1nccc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C12H18N4O2/c1-15(2)12-13-6-3-10(14-12)16-7-4-9(5-8-16)11(17)18/h3,6,9H,4-5,7-8H2,1-2H3,(H,17,18)
InChIKeyCTFQROYSACSRSC-UHFFFAOYSA-N
XLogP0.84
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Oxo-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butanoic acid
CID 2815239
1-(Pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2767267
1-(Pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 4736951
1-(2-Pyrimidinyl)-4-piperidinemethanol
CID 2776521
1-(5-Bromopyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2761041
3-(Pyrimidin-2-yl)propanoic acid
CID 5152885
1-(2-Chloropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 45789847
1-(Pyrimidin-4-yl)piperidine-4-carboxylic acid hydrochloride
CID 67239180
N-butyl-2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-N-methylacetamide
CID 53189240
3-{1-[6-(Ethylamino)pyrimidin-4-yl]piperidin-4-yl}propanoic acid
CID 90488011
3-{1-[6-(Propylamino)pyrimidin-4-YL]piperidin-4-YL}propanoic acid
CID 90488012
1-(4-Methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 23607535

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid (CID 64829652) is 1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid is CN(C)c1nccc(N2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is CTFQROYSACSRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15(2)12-13-6-3-10(14-12)16-7-4-9(5-8-16)11(17)18/h3,6,9H,4-5,7-8H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 64829652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).