6-(3,4-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide

C15H16Cl2N4O — CID 67140644

IUPAC6-(3,4-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C(N)=O)cc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H16Cl2N4O/c1-3-21(4-2)15-19-12(8-13(20-15)14(18)22)9-5-6-10(16)11(17)7-9/h5-8H,3-4H2,1-2H3,(H2,18,22)
InChIKeyJXRMBGBJFCFNHM-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.40
Rot. Bonds5

About 6-(3,4-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide

6-(3,4-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide (PubChem CID 67140644) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide
PubChem CID67140644
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name6-(3,4-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C(N)=O)cc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H16Cl2N4O/c1-3-21(4-2)15-19-12(8-13(20-15)14(18)22)9-5-6-10(16)11(17)7-9/h5-8H,3-4H2,1-2H3,(H2,18,22)
InChIKeyJXRMBGBJFCFNHM-UHFFFAOYSA-N
XLogP3.40
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide (CID 67140644) is 6-(3,4-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide is CCN(CC)c1nc(C(N)=O)cc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide?
The InChIKey is JXRMBGBJFCFNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-3-21(4-2)15-19-12(8-13(20-15)14(18)22)9-5-6-10(16)11(17)7-9/h5-8H,3-4H2,1-2H3,(H2,18,22).
What are the key properties of 6-(3,4-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide?
6-(3,4-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 67140644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).