N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide

C13H11Cl2N3O2 — CID 121167627

IUPACN-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2cccc(Cl)c2Cl)ncn1
InChIInChI=1S/C13H11Cl2N3O2/c1-2-20-11-6-10(16-7-17-11)13(19)18-9-5-3-4-8(14)12(9)15/h3-7H,2H2,1H3,(H,18,19)
InChIKeyDRFXOOFNYWGGDY-UHFFFAOYSA-N
MW312.16 g/mol
LogP3.43
Rot. Bonds4

About N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide

N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide (PubChem CID 121167627) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide
PubChem CID121167627
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC NameN-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2cccc(Cl)c2Cl)ncn1
InChIInChI=1S/C13H11Cl2N3O2/c1-2-20-11-6-10(16-7-17-11)13(19)18-9-5-3-4-8(14)12(9)15/h3-7H,2H2,1H3,(H,18,19)
InChIKeyDRFXOOFNYWGGDY-UHFFFAOYSA-N
XLogP3.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide (CID 121167627) is N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide is CCOc1cc(C(=O)Nc2cccc(Cl)c2Cl)ncn1.
What is the InChIKey of N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide?
The InChIKey is DRFXOOFNYWGGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c1-2-20-11-6-10(16-7-17-11)13(19)18-9-5-3-4-8(14)12(9)15/h3-7H,2H2,1H3,(H,18,19).
What are the key properties of N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide?
N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide has a molecular weight of 312.16 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 121167627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).