N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide

C15H16Cl2N4O2 — CID 109364786

IUPACN-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc(C)n1
InChIInChI=1S/C15H16Cl2N4O2/c1-9-19-13(8-14(20-9)18-5-6-23-2)15(22)21-10-3-4-11(16)12(17)7-10/h3-4,7-8H,5-6H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyRQIQYSXWAFGZCF-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.40
Rot. Bonds6

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

N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109364786) has the molecular formula C15H16Cl2N4O2 and a molecular weight of 355.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109364786
Molecular FormulaC15H16Cl2N4O2
Molecular Weight355.23 g/mol
Exact Mass354.07
IUPAC NameN-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc(C)n1
InChIInChI=1S/C15H16Cl2N4O2/c1-9-19-13(8-14(20-9)18-5-6-23-2)15(22)21-10-3-4-11(16)12(17)7-10/h3-4,7-8H,5-6H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyRQIQYSXWAFGZCF-UHFFFAOYSA-N
XLogP3.40
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364774
6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109364699
6-(2-methoxyethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109364749
N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364760
N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342902
N-(4-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365095
6-(3-methoxypropylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109365060
6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360580
N-(2-ethylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364710
6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109360943
N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365130
N-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364780

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide (CID 109364786) is N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide is COCCNc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc(C)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is RQIQYSXWAFGZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O2/c1-9-19-13(8-14(20-9)18-5-6-23-2)15(22)21-10-3-4-11(16)12(17)7-10/h3-4,7-8H,5-6H2,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide?
N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 355.23 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109364786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).