1-[(2,4-difluorophenyl)methyl]-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione

C15H17F2N3O3 — CID 4690743

IUPAC1-[(2,4-difluorophenyl)methyl]-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione
SMILESCOCCNc1cc(=O)n(C)c(=O)n1Cc1ccc(F)cc1F
InChIInChI=1S/C15H17F2N3O3/c1-19-14(21)8-13(18-5-6-23-2)20(15(19)22)9-10-3-4-11(16)7-12(10)17/h3-4,7-8,18H,5-6,9H2,1-2H3
InChIKeyDNQYROQODYMYDT-UHFFFAOYSA-N
MW325.32 g/mol
LogP0.93
Rot. Bonds6

About 1-[(2,4-difluorophenyl)methyl]-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione

1-[(2,4-difluorophenyl)methyl]-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione (PubChem CID 4690743) has the molecular formula C15H17F2N3O3 and a molecular weight of 325.32 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione
PubChem CID4690743
Molecular FormulaC15H17F2N3O3
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC Name1-[(2,4-difluorophenyl)methyl]-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione
SMILESCOCCNc1cc(=O)n(C)c(=O)n1Cc1ccc(F)cc1F
InChIInChI=1S/C15H17F2N3O3/c1-19-14(21)8-13(18-5-6-23-2)20(15(19)22)9-10-3-4-11(16)7-12(10)17/h3-4,7-8,18H,5-6,9H2,1-2H3
InChIKeyDNQYROQODYMYDT-UHFFFAOYSA-N
XLogP0.93
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione (CID 4690743) is 1-[(2,4-difluorophenyl)methyl]-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione is COCCNc1cc(=O)n(C)c(=O)n1Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione?
The InChIKey is DNQYROQODYMYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3/c1-19-14(21)8-13(18-5-6-23-2)20(15(19)22)9-10-3-4-11(16)7-12(10)17/h3-4,7-8,18H,5-6,9H2,1-2H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione?
1-[(2,4-difluorophenyl)methyl]-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione has a molecular weight of 325.32 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 4690743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).