methyl (2R)-2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate

C17H19Cl2N5O2 — CID 31537980

IUPACmethyl (2R)-2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate
SMILESCOC(=O)[C@@H](c1ccccc1Cl)N1CCN(c2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C17H19Cl2N5O2/c1-26-16(25)15(11-4-2-3-5-12(11)18)24-8-6-23(7-9-24)14-10-13(19)21-17(20)22-14/h2-5,10,15H,6-9H2,1H3,(H2,20,21,22)/t15-/m1/s1
InChIKeyPZYJKZIOMWKMDI-OAHLLOKOSA-N
MW396.28 g/mol
LogP2.40
Rot. Bonds4

About methyl (2R)-2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate

methyl (2R)-2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate (PubChem CID 31537980) has the molecular formula C17H19Cl2N5O2 and a molecular weight of 396.28 g/mol. Its IUPAC name is methyl (2R)-2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate
PubChem CID31537980
Molecular FormulaC17H19Cl2N5O2
Molecular Weight396.28 g/mol
Exact Mass395.09
IUPAC Namemethyl (2R)-2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate
SMILESCOC(=O)[C@@H](c1ccccc1Cl)N1CCN(c2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C17H19Cl2N5O2/c1-26-16(25)15(11-4-2-3-5-12(11)18)24-8-6-23(7-9-24)14-10-13(19)21-17(20)22-14/h2-5,10,15H,6-9H2,1H3,(H2,20,21,22)/t15-/m1/s1
InChIKeyPZYJKZIOMWKMDI-OAHLLOKOSA-N
XLogP2.40
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (2R)-2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate with MolForge

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Related Compounds

methyl (2S)-2-(2-chlorophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetate
CID 33403930
methyl 2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetate
CID 42891125
4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 52569216
methyl (2S)-2-(2-chlorophenyl)-2-(4-phthalazin-1-ylpiperazin-1-yl)acetate
CID 95735599
methyl 2-(2-chlorophenyl)-2-(4-sulfanylpiperidin-1-yl)acetate;hydrochloride
CID 23000853
4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylic acid
CID 118063077
methyl 2-(2-chlorophenyl)-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetate
CID 55573977
methyl (2S)-2-(2-chlorophenyl)-2-[4-[(3,4-difluorophenyl)carbamoyl]piperazin-1-yl]acetate
CID 97254383
methyl 2-(2-chlorophenyl)-2-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate
CID 46553401
methyl 2-(2-chlorophenyl)-2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetate
CID 43049793
methyl 2-(2-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetate
CID 42891094
methyl (2S)-2-(2-chlorophenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetate
CID 25471955

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate?
The IUPAC name of methyl (2R)-2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate (CID 31537980) is methyl (2R)-2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate.
What is the SMILES notation for methyl (2R)-2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate?
The canonical SMILES for methyl (2R)-2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate is COC(=O)[C@@H](c1ccccc1Cl)N1CCN(c2cc(Cl)nc(N)n2)CC1.
What is the InChIKey of methyl (2R)-2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate?
The InChIKey is PZYJKZIOMWKMDI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19Cl2N5O2/c1-26-16(25)15(11-4-2-3-5-12(11)18)24-8-6-23(7-9-24)14-10-13(19)21-17(20)22-14/h2-5,10,15H,6-9H2,1H3,(H2,20,21,22)/t15-/m1/s1.
What are the key properties of methyl (2R)-2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate?
methyl (2R)-2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate has a molecular weight of 396.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate is sourced from PubChem (CID 31537980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).