4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide;4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(4H-triazol-5-yl)pyrimidin-4-amine;5-[(2,4-dichlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxamide

C55H47Cl10N15O4 — CID 158695498

IUPAC4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide;4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(4H-triazol-5-yl)pyrimidin-4-amine;5-[(2,4-dichlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxamide
SMILESCNc1nc(C(N)=O)nc(C)c1Cc1ccc(Cl)cc1Cl.CNc1nc(C2=NN=NC2)nc(C)c1Cc1ccc(Cl)cc1Cl.Cc1nc(C(=O)O)nc(Cl)c1Cc1ccc(Cl)cc1Cl.Cc1nc(C(N)=O)nc(Cl)c1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N6.C14H14Cl2N4O.C13H10Cl3N3O.C13H9Cl3N2O2/c1-8-11(5-9-3-4-10(16)6-12(9)17)14(18-2)21-15(20-8)13-7-19-23-22-13;1-7-10(5-8-3-4-9(15)6-11(8)16)13(18-2)20-14(19-7)12(17)21;1-6-9(11(16)19-13(18-6)12(17)20)4-7-2-3-8(14)5-10(7)15;1-6-9(11(16)18-12(17-6)13(19)20)4-7-2-3-8(14)5-10(7)15/h3-4,6H,5,7H2,1-2H3,(H,18,20,21);3-4,6H,5H2,1-2H3,(H2,17,21)(H,18,19,20);2-3,5H,4H2,1H3,(H2,17,20);2-3,5H,4H2,1H3,(H,19,20)
InChIKeyIGWSDEZPTPQBJP-UHFFFAOYSA-N
MW1336.61 g/mol
LogP14.19
Rot. Bonds14

About 4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide;4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(4H-triazol-5-yl)pyrimidin-4-amine;5-[(2,4-dichlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxamide

4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide;4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(4H-triazol-5-yl)pyrimidin-4-amine;5-[(2,4-dichlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxamide (PubChem CID 158695498) has the molecular formula C55H47Cl10N15O4 and a molecular weight of 1336.61 g/mol. Its IUPAC name is 4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide;4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(4H-triazol-5-yl)pyrimidin-4-amine;5-[(2,4-dichlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide;4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(4H-triazol-5-yl)pyrimidin-4-amine;5-[(2,4-dichlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxamide
PubChem CID158695498
Molecular FormulaC55H47Cl10N15O4
Molecular Weight1336.61 g/mol
Exact Mass1331.08
IUPAC Name4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide;4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(4H-triazol-5-yl)pyrimidin-4-amine;5-[(2,4-dichlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxamide
SMILESCNc1nc(C(N)=O)nc(C)c1Cc1ccc(Cl)cc1Cl.CNc1nc(C2=NN=NC2)nc(C)c1Cc1ccc(Cl)cc1Cl.Cc1nc(C(=O)O)nc(Cl)c1Cc1ccc(Cl)cc1Cl.Cc1nc(C(N)=O)nc(Cl)c1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N6.C14H14Cl2N4O.C13H10Cl3N3O.C13H9Cl3N2O2/c1-8-11(5-9-3-4-10(16)6-12(9)17)14(18-2)21-15(20-8)13-7-19-23-22-13;1-7-10(5-8-3-4-9(15)6-11(8)16)13(18-2)20-14(19-7)12(17)21;1-6-9(11(16)19-13(18-6)12(17)20)4-7-2-3-8(14)5-10(7)15;1-6-9(11(16)18-12(17-6)13(19)20)4-7-2-3-8(14)5-10(7)15/h3-4,6H,5,7H2,1-2H3,(H,18,20,21);3-4,6H,5H2,1-2H3,(H2,17,21)(H,18,19,20);2-3,5H,4H2,1H3,(H2,17,20);2-3,5H,4H2,1H3,(H,19,20)
InChIKeyIGWSDEZPTPQBJP-UHFFFAOYSA-N
XLogP14.19
TPSA287.74 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001336.61
LogP ≤ 514.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide;4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(4H-triazol-5-yl)pyrimidin-4-amine;5-[(2,4-dichlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide;4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(4H-triazol-5-yl)pyrimidin-4-amine;5-[(2,4-dichlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxamide?
The IUPAC name of 4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide;4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(4H-triazol-5-yl)pyrimidin-4-amine;5-[(2,4-dichlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxamide (CID 158695498) is 4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide;4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(4H-triazol-5-yl)pyrimidin-4-amine;5-[(2,4-dichlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxamide.
What is the SMILES notation for 4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide;4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(4H-triazol-5-yl)pyrimidin-4-amine;5-[(2,4-dichlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxamide?
The canonical SMILES for 4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide;4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(4H-triazol-5-yl)pyrimidin-4-amine;5-[(2,4-dichlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxamide is CNc1nc(C(N)=O)nc(C)c1Cc1ccc(Cl)cc1Cl.CNc1nc(C2=NN=NC2)nc(C)c1Cc1ccc(Cl)cc1Cl.Cc1nc(C(=O)O)nc(Cl)c1Cc1ccc(Cl)cc1Cl.Cc1nc(C(N)=O)nc(Cl)c1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide;4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(4H-triazol-5-yl)pyrimidin-4-amine;5-[(2,4-dichlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxamide?
The InChIKey is IGWSDEZPTPQBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N6.C14H14Cl2N4O.C13H10Cl3N3O.C13H9Cl3N2O2/c1-8-11(5-9-3-4-10(16)6-12(9)17)14(18-2)21-15(20-8)13-7-19-23-22-13;1-7-10(5-8-3-4-9(15)6-11(8)16)13(18-2)20-14(19-7)12(17)21;1-6-9(11(16)19-13(18-6)12(17)20)4-7-2-3-8(14)5-10(7)15;1-6-9(11(16)18-12(17-6)13(19)20)4-7-2-3-8(14)5-10(7)15/h3-4,6H,5,7H2,1-2H3,(H,18,20,21);3-4,6H,5H2,1-2H3,(H2,17,21)(H,18,19,20);2-3,5H,4H2,1H3,(H2,17,20);2-3,5H,4H2,1H3,(H,19,20).
What are the key properties of 4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide;4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(4H-triazol-5-yl)pyrimidin-4-amine;5-[(2,4-dichlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxamide?
4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide;4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(4H-triazol-5-yl)pyrimidin-4-amine;5-[(2,4-dichlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxamide has a molecular weight of 1336.61 g/mol, XLogP of 14.19, 14 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide;4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(4H-triazol-5-yl)pyrimidin-4-amine;5-[(2,4-dichlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxamide is sourced from PubChem (CID 158695498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).