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

C11H16N4O2 — CID 91542244

IUPAC4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carboxylic acid
SMILESCc1cc(C)nc(N2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C11H16N4O2/c1-8-7-9(2)13-10(12-8)14-3-5-15(6-4-14)11(16)17/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyPXKLZSGQXYRGHI-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.89
Rot. Bonds1

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

4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carboxylic acid (PubChem CID 91542244) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carboxylic acid
PubChem CID91542244
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carboxylic acid
SMILESCc1cc(C)nc(N2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C11H16N4O2/c1-8-7-9(2)13-10(12-8)14-3-5-15(6-4-14)11(16)17/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyPXKLZSGQXYRGHI-UHFFFAOYSA-N
XLogP0.89
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-Dimethyl-2-pyrimidyl)piperazine
CID 2758651
2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide
CID 2909654
Ethyl 4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 2987674
2-[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-N,N-diethyl-propionamide
CID 3130268
2-[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-N,N-diethyl-acetamide
CID 1903179
N-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide
CID 5728930
N,N-diethyl-4,6-dimethylpyrimidin-2-amine
CID 4181181
4,6-Dimethyl-2-(piperazin-1-yl)pyrimidine dihydrochloride
CID 19969739
Tert-butyl 4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 103610282
1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperazine-2-carboxamide
CID 110259079
1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide
CID 110259080
N-(4,6-dimethylpyrimidin-2-yl)-N-methylglycine
CID 312675

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carboxylic acid (CID 91542244) is 4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carboxylic acid is Cc1cc(C)nc(N2CCN(C(=O)O)CC2)n1.
What is the InChIKey of 4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carboxylic acid?
The InChIKey is PXKLZSGQXYRGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-7-9(2)13-10(12-8)14-3-5-15(6-4-14)11(16)17/h7H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carboxylic acid?
4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 91542244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).