N-(2,4-difluorophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide

C16H18F2N4O2 — CID 109365139

IUPACN-(2,4-difluorophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)Nc2ccc(F)cc2F)nc(C)n1
InChIInChI=1S/C16H18F2N4O2/c1-10-20-14(9-15(21-10)19-6-3-7-24-2)16(23)22-13-5-4-11(17)8-12(13)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyCYMLEDIIRUDMCL-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.76
Rot. Bonds7

About N-(2,4-difluorophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide

N-(2,4-difluorophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109365139) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109365139
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC NameN-(2,4-difluorophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)Nc2ccc(F)cc2F)nc(C)n1
InChIInChI=1S/C16H18F2N4O2/c1-10-20-14(9-15(21-10)19-6-3-7-24-2)16(23)22-13-5-4-11(17)8-12(13)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyCYMLEDIIRUDMCL-UHFFFAOYSA-N
XLogP2.76
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.76
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-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364780
N-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365071
N-(4-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365095
N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109364804
ethyl 2-[[6-(3-methoxypropylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109365152
6-(3-methoxypropylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109365060
6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849855
N-[2-(4-chlorophenyl)ethyl]-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365029
N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365130
6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850469
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109365027
methyl 3-[[6-(3-methoxypropylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109365116

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide (CID 109365139) is N-(2,4-difluorophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide is COCCCNc1cc(C(=O)Nc2ccc(F)cc2F)nc(C)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is CYMLEDIIRUDMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c1-10-20-14(9-15(21-10)19-6-3-7-24-2)16(23)22-13-5-4-11(17)8-12(13)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(2,4-difluorophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide?
N-(2,4-difluorophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 2.76, 7 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-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109365139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).