1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid

C11H15ClN4O2 — CID 80663815

IUPAC1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid
SMILESCc1cc(Cl)nc(CN2CCNCC2C(=O)O)n1
InChIInChI=1S/C11H15ClN4O2/c1-7-4-9(12)15-10(14-7)6-16-3-2-13-5-8(16)11(17)18/h4,8,13H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyZIXNTUNAUPHAMH-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.30
Rot. Bonds3

About 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid

1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid (PubChem CID 80663815) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid
PubChem CID80663815
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid
SMILESCc1cc(Cl)nc(CN2CCNCC2C(=O)O)n1
InChIInChI=1S/C11H15ClN4O2/c1-7-4-9(12)15-10(14-7)6-16-3-2-13-5-8(16)11(17)18/h4,8,13H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyZIXNTUNAUPHAMH-UHFFFAOYSA-N
XLogP0.30
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid
CID 97166514
1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid
CID 71646339
(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 97162747
(2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid
CID 86329900
1-[(3-chlorophenyl)methyl]piperazine-2-carboxylic acid;hydrochloride
CID 156595749
1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid
CID 106933551
4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine
CID 80663771
4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1,4-diazepan-2-one
CID 80664842
ethyl 1-[(4,6-dichloro-3-pyridinyl)methyl]piperazine-2-carboxylate
CID 116519819
1-[(3-chloro-2-fluorophenyl)methyl]piperazine-2-carboxylic acid
CID 114488257
methyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate
CID 80663871
1-[(5-chloro-2-nitrophenyl)methyl]piperazine-2-carboxylic acid
CID 79580067

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid?
The IUPAC name of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid (CID 80663815) is 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid?
The canonical SMILES for 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid is Cc1cc(Cl)nc(CN2CCNCC2C(=O)O)n1.
What is the InChIKey of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid?
The InChIKey is ZIXNTUNAUPHAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-7-4-9(12)15-10(14-7)6-16-3-2-13-5-8(16)11(17)18/h4,8,13H,2-3,5-6H2,1H3,(H,17,18).
What are the key properties of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid?
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid has a molecular weight of 270.72 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 80663815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).