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

C11H16N4O2 — CID 97176235

IUPAC(2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid
SMILESCc1cc(C)nc(N2CCN[C@@H](C(=O)O)C2)n1
InChIInChI=1S/C11H16N4O2/c1-7-5-8(2)14-11(13-7)15-4-3-12-9(6-15)10(16)17/h5,9,12H,3-4,6H2,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyDKEROXZHLOZANB-SECBINFHSA-N
MW236.27 g/mol
LogP-0.04
Rot. Bonds2

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

(2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid (PubChem CID 97176235) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid
PubChem CID97176235
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name(2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid
SMILESCc1cc(C)nc(N2CCN[C@@H](C(=O)O)C2)n1
InChIInChI=1S/C11H16N4O2/c1-7-5-8(2)14-11(13-7)15-4-3-12-9(6-15)10(16)17/h5,9,12H,3-4,6H2,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyDKEROXZHLOZANB-SECBINFHSA-N
XLogP-0.04
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 97169312
4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 56867245
(2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid
CID 97176850
(2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 95554820
4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine
CID 104976163
4-(5-amino-1H-pyrazol-3-yl)piperazine-2-carboxylic acid
CID 83848846
4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid
CID 56880424
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 56877905
2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 131107872
2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid
CID 84657825
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
4-pyridin-2-ylpiperazine-2-carboxylic acid
CID 44607823

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid?
The IUPAC name of (2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid (CID 97176235) is (2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid is Cc1cc(C)nc(N2CCN[C@@H](C(=O)O)C2)n1.
What is the InChIKey of (2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid?
The InChIKey is DKEROXZHLOZANB-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-5-8(2)14-11(13-7)15-4-3-12-9(6-15)10(16)17/h5,9,12H,3-4,6H2,1-2H3,(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid?
(2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid is sourced from PubChem (CID 97176235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).