(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid

C10H13ClN4O2 — CID 97162747

IUPAC(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid
SMILESCc1cc(N2CCNC[C@@H]2C(=O)O)nc(Cl)n1
InChIInChI=1S/C10H13ClN4O2/c1-6-4-8(14-10(11)13-6)15-3-2-12-5-7(15)9(16)17/h4,7,12H,2-3,5H2,1H3,(H,16,17)/t7-/m1/s1
InChIKeyCGGIRAFKQHPWHO-SSDOTTSWSA-N
MW256.69 g/mol
LogP0.30
Rot. Bonds2

About (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid

(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid (PubChem CID 97162747) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid
PubChem CID97162747
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid
SMILESCc1cc(N2CCNC[C@@H]2C(=O)O)nc(Cl)n1
InChIInChI=1S/C10H13ClN4O2/c1-6-4-8(14-10(11)13-6)15-3-2-12-5-7(15)9(16)17/h4,7,12H,2-3,5H2,1H3,(H,16,17)/t7-/m1/s1
InChIKeyCGGIRAFKQHPWHO-SSDOTTSWSA-N
XLogP0.30
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 95928534
6-(2-carbamoylpiperazin-1-yl)-2-chloropyrimidine-4-carboxamide;hydrochloride
CID 89422597
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
CID 136978431
1-(4-carbamoyl-6-methyl-2-pyridinyl)piperazine-2-carboxamide
CID 114770103
1-(5-chloro-2-methylphenyl)piperazine-2-carboxylic acid
CID 83488497
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid
CID 80663815
1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 66284509
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
CID 136978433
2,2-dimethylpropane;methyl 2-chloro-6-(2-methoxycarbonylpiperazin-1-yl)pyrimidine-4-carboxylate
CID 144696025
1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride
CID 71639214
1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide
CID 114770105
(2S)-1-(4-chloropyrimidin-2-yl)piperazine-2-carboxylic acid
CID 97166480

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid (CID 97162747) is (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid is Cc1cc(N2CCNC[C@@H]2C(=O)O)nc(Cl)n1.
What is the InChIKey of (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid?
The InChIKey is CGGIRAFKQHPWHO-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-6-4-8(14-10(11)13-6)15-3-2-12-5-7(15)9(16)17/h4,7,12H,2-3,5H2,1H3,(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid?
(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid has a molecular weight of 256.69 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid is sourced from PubChem (CID 97162747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).