4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide

C13H10Cl3N3O — CID 142395203

IUPAC4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide
SMILESCc1nc(C(N)=O)nc(Cl)c1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3N3O/c1-6-9(11(16)19-13(18-6)12(17)20)4-7-2-3-8(14)5-10(7)15/h2-3,5H,4H2,1H3,(H2,17,20)
InChIKeyVDXGIQDLRQDOBU-UHFFFAOYSA-N
MW330.60 g/mol
LogP3.43
Rot. Bonds3

About 4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide

4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide (PubChem CID 142395203) has the molecular formula C13H10Cl3N3O and a molecular weight of 330.60 g/mol. Its IUPAC name is 4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide
PubChem CID142395203
Molecular FormulaC13H10Cl3N3O
Molecular Weight330.60 g/mol
Exact Mass328.99
IUPAC Name4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide
SMILESCc1nc(C(N)=O)nc(Cl)c1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3N3O/c1-6-9(11(16)19-13(18-6)12(17)20)4-7-2-3-8(14)5-10(7)15/h2-3,5H,4H2,1H3,(H2,17,20)
InChIKeyVDXGIQDLRQDOBU-UHFFFAOYSA-N
XLogP3.43
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-4-ethylsulfanyl-6-methylpyrimidine-2-carboxylic acid
CID 157460936
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
5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 3779331
1-[2-[(2,4-dichlorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744094
4-amino-2-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-5-carboxylic acid
CID 116647394
5-(2,4-dichlorophenyl)sulfanyl-4-(2-hydroxyethylsulfanyl)-6-methylpyrimidine-2-carboxamide
CID 146239635
5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(2H-tetrazol-5-yl)pyrimidin-4-amine
CID 142395275
2-(2,4-dichlorophenyl)-N-methylacetohydrazide
CID 116844869
N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 711646
4-amino-2-[(2,4-dichlorophenyl)methyl]pyrimidine-5-carboxylic acid
CID 116640812
2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine
CID 66307695
N-[2-acetamido-5-[3-(2,4-dichlorophenyl)propyl]-6-methylpyrimidin-4-yl]acetamide
CID 134125421

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide?
The IUPAC name of 4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide (CID 142395203) is 4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide?
The canonical SMILES for 4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide is 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?
The InChIKey is VDXGIQDLRQDOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3O/c1-6-9(11(16)19-13(18-6)12(17)20)4-7-2-3-8(14)5-10(7)15/h2-3,5H,4H2,1H3,(H2,17,20).
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-carboxamide has a molecular weight of 330.60 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide is sourced from PubChem (CID 142395203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).