1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid

C12H17N3O2 — CID 650474

IUPAC1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCc1cc(C)nc(N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C12H17N3O2/c1-8-6-9(2)14-12(13-8)15-5-3-4-10(7-15)11(16)17/h6,10H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyYCSSRSNBRMYUKP-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.39
Rot. Bonds2

About 1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid

1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid (PubChem CID 650474) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid
PubChem CID650474
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCc1cc(C)nc(N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C12H17N3O2/c1-8-6-9(2)14-12(13-8)15-5-3-4-10(7-15)11(16)17/h6,10H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyYCSSRSNBRMYUKP-UHFFFAOYSA-N
XLogP1.39
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-Dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 655810
1-(4,6-Dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3165101
1-(6-Cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 91623620
ethyl (3S)-1-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetyl]piperidine-3-carboxylate
CID 125129794
1-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 7017858
1-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 7017859
Ethyl 1-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)piperidine-3-carboxylate
CID 19616665
1-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 19616666
1-[4-Cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 19621475
1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 19621498
1-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 19621562
(3R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 40427770

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid (CID 650474) is 1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid is Cc1cc(C)nc(N2CCCC(C(=O)O)C2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is YCSSRSNBRMYUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-6-9(2)14-12(13-8)15-5-3-4-10(7-15)11(16)17/h6,10H,3-5,7H2,1-2H3,(H,16,17).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid?
1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 650474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).