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

C12H17N3O4 — CID 4189208

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCOc1cc(OC)nc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C12H17N3O4/c1-18-9-7-10(19-2)14-12(13-9)15-5-3-8(4-6-15)11(16)17/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyCBYNUTGMWDFSSH-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.79
Rot. Bonds4

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

1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 4189208) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID4189208
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCOc1cc(OC)nc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C12H17N3O4/c1-18-9-7-10(19-2)14-12(13-9)15-5-3-8(4-6-15)11(16)17/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyCBYNUTGMWDFSSH-UHFFFAOYSA-N
XLogP0.79
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-Dimethoxy-2-piperidin-1-ylpyrimidine
CID 90342172
3-(4,6-Dimethoxypyrimidin-2-yl)propanoic acid
CID 2736220
2-(4,6-Dimethoxypyrimidin-2-yl)cyclohexanecarboxylic acid
CID 2761137
1-(4-Methoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 16228258
(3S,4S)-1-(4,6-dimethoxypyrimidin-2-yl)-4-ethylpiperidine-3,4-diol
CID 164639809
2-Fluoro-3-methyl-2(4,6-dimethoxypyrimidin-2-yl) butanoic acid
CID 53968628
Methyl 3-(4,6-dimethoxypyrimidin-2-yl)propanoate
CID 4252883
4,6-Dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]pyrimidine
CID 4610746
(3S,4S)-1-(4,6-dimethoxypyrimidin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063820
4,6-Dimethoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 155974214
2-[4-(Difluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 168056820
2-[4-(Fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 172880740

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxylic acid (CID 4189208) is 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxylic acid is COc1cc(OC)nc(N2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is CBYNUTGMWDFSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-18-9-7-10(19-2)14-12(13-9)15-5-3-8(4-6-15)11(16)17/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxylic acid?
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 4189208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).