(2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid

C11H15FN4O2 — CID 170154976

IUPAC(2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(c2ncc(F)cn2)C[C@@H](C)N1C(=O)O
InChIInChI=1S/C11H15FN4O2/c1-7-5-15(6-8(2)16(7)11(17)18)10-13-3-9(12)4-14-10/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)/t7-,8-/m1/s1
InChIKeyADYYJYLLKYRTPM-HTQZYQBOSA-N
MW254.26 g/mol
LogP1.19
Rot. Bonds1

About (2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid

(2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid (PubChem CID 170154976) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is (2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid
PubChem CID170154976
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Name(2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(c2ncc(F)cn2)C[C@@H](C)N1C(=O)O
InChIInChI=1S/C11H15FN4O2/c1-7-5-15(6-8(2)16(7)11(17)18)10-13-3-9(12)4-14-10/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)/t7-,8-/m1/s1
InChIKeyADYYJYLLKYRTPM-HTQZYQBOSA-N
XLogP1.19
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6S)-4-[5-(difluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid
CID 170154808
(2S,6R)-4-(5-cyclopropylpyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid
CID 170155927
(2R,6S)-2,6-dimethyl-4-[5-(trifluoromethoxy)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 170155745
(2R,6S)-4-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid
CID 170154809
2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid
CID 135382824
(1-benzylpiperidin-4-yl) (2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylate
CID 166704572
4-(5-cyanopyrimidin-2-yl)-2,6-dimethylpiperazine-1-carbonyl chloride
CID 175337215
(2S,6R)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethylpiperazine-1-carbonyl chloride
CID 166071509
(2S,6R)-4-(5-ethylsulfonylpyrimidin-2-yl)-2,6-dimethylpiperazine-1-carbonyl chloride
CID 167450297
(2S)-2-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 174238746
1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone
CID 104606096
2-[(3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazin-1-yl]-5-iodopyrimidine
CID 178161798

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid?
The IUPAC name of (2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid (CID 170154976) is (2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid?
The canonical SMILES for (2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid is C[C@@H]1CN(c2ncc(F)cn2)C[C@@H](C)N1C(=O)O.
What is the InChIKey of (2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid?
The InChIKey is ADYYJYLLKYRTPM-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H15FN4O2/c1-7-5-15(6-8(2)16(7)11(17)18)10-13-3-9(12)4-14-10/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)/t7-,8-/m1/s1.
What are the key properties of (2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid?
(2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid has a molecular weight of 254.26 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid is sourced from PubChem (CID 170154976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).