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

C14H20N4O2 — CID 170155927

IUPAC(2S,6R)-4-(5-cyclopropylpyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(c2ncc(C3CC3)cn2)C[C@H](C)N1C(=O)O
InChIInChI=1S/C14H20N4O2/c1-9-7-17(8-10(2)18(9)14(19)20)13-15-5-12(6-16-13)11-3-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,20)/t9-,10+
InChIKeyVGGPPMZRXIWAFV-AOOOYVTPSA-N
MW276.34 g/mol
LogP1.93
Rot. Bonds2

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

(2S,6R)-4-(5-cyclopropylpyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid (PubChem CID 170155927) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S,6R)-4-(5-cyclopropylpyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,6R)-4-(5-cyclopropylpyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid
PubChem CID170155927
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(2S,6R)-4-(5-cyclopropylpyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(c2ncc(C3CC3)cn2)C[C@H](C)N1C(=O)O
InChIInChI=1S/C14H20N4O2/c1-9-7-17(8-10(2)18(9)14(19)20)13-15-5-12(6-16-13)11-3-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,20)/t9-,10+
InChIKeyVGGPPMZRXIWAFV-AOOOYVTPSA-N
XLogP1.93
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid
CID 170154976
(2R,6S)-4-[5-(difluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid
CID 170154808
(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
(1R,5S)-3-(5-cyclopropylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 167085170
(2S,6R)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethylpiperazine-1-carbonyl chloride
CID 166071509
4-(5-cyanopyrimidin-2-yl)-2,6-dimethylpiperazine-1-carbonyl chloride
CID 175337215
1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 116976080
(2S,6R)-4-(5-ethylsulfonylpyrimidin-2-yl)-2,6-dimethylpiperazine-1-carbonyl chloride
CID 167450297
1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-ol
CID 58057790
tert-butyl 4-(5-cyclopropylpyrimidin-2-yl)-3,5-dimethylpiperazine-1-carboxylate
CID 172678363
(2S)-2-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 174238746

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(5-cyclopropylpyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid?
The IUPAC name of (2S,6R)-4-(5-cyclopropylpyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid (CID 170155927) is (2S,6R)-4-(5-cyclopropylpyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2S,6R)-4-(5-cyclopropylpyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid?
The canonical SMILES for (2S,6R)-4-(5-cyclopropylpyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid is C[C@@H]1CN(c2ncc(C3CC3)cn2)C[C@H](C)N1C(=O)O.
What is the InChIKey of (2S,6R)-4-(5-cyclopropylpyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid?
The InChIKey is VGGPPMZRXIWAFV-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-7-17(8-10(2)18(9)14(19)20)13-15-5-12(6-16-13)11-3-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,20)/t9-,10+.
What are the key properties of (2S,6R)-4-(5-cyclopropylpyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid?
(2S,6R)-4-(5-cyclopropylpyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(5-cyclopropylpyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid is sourced from PubChem (CID 170155927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).