N-[4-(2,3-dichlorophenyl)-6-(methylamino)pyrimidin-2-yl]acetamide

C13H12Cl2N4O — CID 155549792

IUPACN-[4-(2,3-dichlorophenyl)-6-(methylamino)pyrimidin-2-yl]acetamide
SMILESCNc1cc(-c2cccc(Cl)c2Cl)nc(NC(C)=O)n1
InChIInChI=1S/C13H12Cl2N4O/c1-7(20)17-13-18-10(6-11(16-2)19-13)8-4-3-5-9(14)12(8)15/h3-6H,1-2H3,(H2,16,17,18,19,20)
InChIKeyOPCPDLUNQUHMKH-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.45
Rot. Bonds3

About N-[4-(2,3-dichlorophenyl)-6-(methylamino)pyrimidin-2-yl]acetamide

N-[4-(2,3-dichlorophenyl)-6-(methylamino)pyrimidin-2-yl]acetamide (PubChem CID 155549792) has the molecular formula C13H12Cl2N4O and a molecular weight of 311.17 g/mol. Its IUPAC name is N-[4-(2,3-dichlorophenyl)-6-(methylamino)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,3-dichlorophenyl)-6-(methylamino)pyrimidin-2-yl]acetamide
PubChem CID155549792
Molecular FormulaC13H12Cl2N4O
Molecular Weight311.17 g/mol
Exact Mass310.04
IUPAC NameN-[4-(2,3-dichlorophenyl)-6-(methylamino)pyrimidin-2-yl]acetamide
SMILESCNc1cc(-c2cccc(Cl)c2Cl)nc(NC(C)=O)n1
InChIInChI=1S/C13H12Cl2N4O/c1-7(20)17-13-18-10(6-11(16-2)19-13)8-4-3-5-9(14)12(8)15/h3-6H,1-2H3,(H2,16,17,18,19,20)
InChIKeyOPCPDLUNQUHMKH-UHFFFAOYSA-N
XLogP3.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dichlorophenyl)-6-(methylamino)pyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-(2,3-dichlorophenyl)-6-(methylamino)pyrimidin-2-yl]acetamide (CID 155549792) is N-[4-(2,3-dichlorophenyl)-6-(methylamino)pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-(2,3-dichlorophenyl)-6-(methylamino)pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-(2,3-dichlorophenyl)-6-(methylamino)pyrimidin-2-yl]acetamide is CNc1cc(-c2cccc(Cl)c2Cl)nc(NC(C)=O)n1.
What is the InChIKey of N-[4-(2,3-dichlorophenyl)-6-(methylamino)pyrimidin-2-yl]acetamide?
The InChIKey is OPCPDLUNQUHMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O/c1-7(20)17-13-18-10(6-11(16-2)19-13)8-4-3-5-9(14)12(8)15/h3-6H,1-2H3,(H2,16,17,18,19,20).
What are the key properties of N-[4-(2,3-dichlorophenyl)-6-(methylamino)pyrimidin-2-yl]acetamide?
N-[4-(2,3-dichlorophenyl)-6-(methylamino)pyrimidin-2-yl]acetamide has a molecular weight of 311.17 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dichlorophenyl)-6-(methylamino)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 155549792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).