1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid

C14H21N3O2 — CID 94075608

IUPAC1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCCc1nc(C)c(C)c(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C14H21N3O2/c1-4-12-15-10(3)9(2)13(16-12)17-7-5-11(6-8-17)14(18)19/h11H,4-8H2,1-3H3,(H,18,19)
InChIKeyDUPQJFWLHKFXQM-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.96
Rot. Bonds3

About 1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid

1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 94075608) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID94075608
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCCc1nc(C)c(C)c(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C14H21N3O2/c1-4-12-15-10(3)9(2)13(16-12)17-7-5-11(6-8-17)14(18)19/h11H,4-8H2,1-3H3,(H,18,19)
InChIKeyDUPQJFWLHKFXQM-UHFFFAOYSA-N
XLogP1.96
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768598
1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide
CID 79238224
1-(2-ethyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 53212681
1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid;hydrochloride
CID 52994844
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65273603
N-[[1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 102737052
1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 103201100
1-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 53212199
methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 114276570
6-(4-ethoxypiperidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80987233
6-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80993261
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103198504

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid (CID 94075608) is 1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid is CCc1nc(C)c(C)c(N2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is DUPQJFWLHKFXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-12-15-10(3)9(2)13(16-12)17-7-5-11(6-8-17)14(18)19/h11H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 94075608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).