methyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate

C14H11Cl2N3O3 — CID 71282712

IUPACmethyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C14H11Cl2N3O3/c1-22-13(20)6-17-14(21)12-5-11(18-7-19-12)8-2-3-9(15)10(16)4-8/h2-5,7H,6H2,1H3,(H,17,21)
InChIKeyTYSCHDGMXSKEOJ-UHFFFAOYSA-N
MW340.17 g/mol
LogP2.35
Rot. Bonds4

About methyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate

methyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate (PubChem CID 71282712) has the molecular formula C14H11Cl2N3O3 and a molecular weight of 340.17 g/mol. Its IUPAC name is methyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate
PubChem CID71282712
Molecular FormulaC14H11Cl2N3O3
Molecular Weight340.17 g/mol
Exact Mass339.02
IUPAC Namemethyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C14H11Cl2N3O3/c1-22-13(20)6-17-14(21)12-5-11(18-7-19-12)8-2-3-9(15)10(16)4-8/h2-5,7H,6H2,1H3,(H,17,21)
InChIKeyTYSCHDGMXSKEOJ-UHFFFAOYSA-N
XLogP2.35
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 67218717
6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 71506432
methyl 2-[[4-(4-chlorophenyl)pyridine-2-carbonyl]amino]acetate
CID 24891148
6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 67218380
methyl 6-(3-chloro-4-methylphenyl)pyrimidine-4-carboxylate
CID 67218962
6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 87314477
6-(3,4-dichlorophenyl)-N-[(2S)-pyrrolidine-2-carbonyl]pyrimidine-4-carboxamide
CID 71282654
6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide
CID 71292443
6-(3-chloro-4-ethoxyphenyl)pyrimidine-4-carboxylic acid
CID 95482943
N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-2,2-dimethylpropanamide
CID 71292603
6-(3,4-dichlorophenyl)-N'-(methylamino)pyrimidine-4-carboximidamide
CID 123460331
[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 123984314

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate (CID 71282712) is methyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate is COC(=O)CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1.
What is the InChIKey of methyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate?
The InChIKey is TYSCHDGMXSKEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O3/c1-22-13(20)6-17-14(21)12-5-11(18-7-19-12)8-2-3-9(15)10(16)4-8/h2-5,7H,6H2,1H3,(H,17,21).
What are the key properties of methyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate?
methyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate has a molecular weight of 340.17 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate is sourced from PubChem (CID 71282712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).