N-(2-aminopyrimidin-4-yl)-2,6-dichlorobenzamide

C11H8Cl2N4O — CID 59618305

IUPACN-(2-aminopyrimidin-4-yl)-2,6-dichlorobenzamide
SMILESNc1nccc(NC(=O)c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C11H8Cl2N4O/c12-6-2-1-3-7(13)9(6)10(18)16-8-4-5-15-11(14)17-8/h1-5H,(H3,14,15,16,17,18)
InChIKeyZNCLKLWDZRRFFW-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.62
Rot. Bonds2

About N-(2-aminopyrimidin-4-yl)-2,6-dichlorobenzamide

N-(2-aminopyrimidin-4-yl)-2,6-dichlorobenzamide (PubChem CID 59618305) has the molecular formula C11H8Cl2N4O and a molecular weight of 283.12 g/mol. Its IUPAC name is N-(2-aminopyrimidin-4-yl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-aminopyrimidin-4-yl)-2,6-dichlorobenzamide
PubChem CID59618305
Molecular FormulaC11H8Cl2N4O
Molecular Weight283.12 g/mol
Exact Mass282.01
IUPAC NameN-(2-aminopyrimidin-4-yl)-2,6-dichlorobenzamide
SMILESNc1nccc(NC(=O)c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C11H8Cl2N4O/c12-6-2-1-3-7(13)9(6)10(18)16-8-4-5-15-11(14)17-8/h1-5H,(H3,14,15,16,17,18)
InChIKeyZNCLKLWDZRRFFW-UHFFFAOYSA-N
XLogP2.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminopyrimidin-4-yl)-2,6-dichlorobenzamide?
The IUPAC name of N-(2-aminopyrimidin-4-yl)-2,6-dichlorobenzamide (CID 59618305) is N-(2-aminopyrimidin-4-yl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(2-aminopyrimidin-4-yl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(2-aminopyrimidin-4-yl)-2,6-dichlorobenzamide is Nc1nccc(NC(=O)c2c(Cl)cccc2Cl)n1.
What is the InChIKey of N-(2-aminopyrimidin-4-yl)-2,6-dichlorobenzamide?
The InChIKey is ZNCLKLWDZRRFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O/c12-6-2-1-3-7(13)9(6)10(18)16-8-4-5-15-11(14)17-8/h1-5H,(H3,14,15,16,17,18).
What are the key properties of N-(2-aminopyrimidin-4-yl)-2,6-dichlorobenzamide?
N-(2-aminopyrimidin-4-yl)-2,6-dichlorobenzamide has a molecular weight of 283.12 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopyrimidin-4-yl)-2,6-dichlorobenzamide is sourced from PubChem (CID 59618305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).