N-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide

C15H16F2N4O2 — CID 109364780

IUPACN-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2ccc(F)cc2F)nc(C)n1
InChIInChI=1S/C15H16F2N4O2/c1-9-19-13(8-14(20-9)18-5-6-23-2)15(22)21-12-4-3-10(16)7-11(12)17/h3-4,7-8H,5-6H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyJRQRUAHVOCOEEL-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.37
Rot. Bonds6

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

N-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109364780) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109364780
Molecular FormulaC15H16F2N4O2
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC NameN-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2ccc(F)cc2F)nc(C)n1
InChIInChI=1S/C15H16F2N4O2/c1-9-19-13(8-14(20-9)18-5-6-23-2)15(22)21-12-4-3-10(16)7-11(12)17/h3-4,7-8H,5-6H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyJRQRUAHVOCOEEL-UHFFFAOYSA-N
XLogP2.37
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.37
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-(2,4-difluorophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365139
N-(2-ethylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364710
6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849855
6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850469
N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364786
6-N-(2,4-difluorophenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095796
6-(2-methoxyethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109364749
ethyl 2-[[6-(2-methoxyethylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109364795
6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109364699
6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360580
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290
N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364774

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide (CID 109364780) is N-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide is COCCNc1cc(C(=O)Nc2ccc(F)cc2F)nc(C)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is JRQRUAHVOCOEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c1-9-19-13(8-14(20-9)18-5-6-23-2)15(22)21-12-4-3-10(16)7-11(12)17/h3-4,7-8H,5-6H2,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide?
N-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109364780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).