1-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-ylpyrimidine-2,4-dione

C16H17F2N3O3 — CID 4192923

IUPAC1-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-ylpyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCOCC2)n(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C16H17F2N3O3/c1-19-15(22)9-14(20-4-6-24-7-5-20)21(16(19)23)10-11-2-3-12(17)8-13(11)18/h2-3,8-9H,4-7,10H2,1H3
InChIKeyBNWJJSRUBMUBAF-UHFFFAOYSA-N
MW337.33 g/mol
LogP0.71
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-ylpyrimidine-2,4-dione

1-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-ylpyrimidine-2,4-dione (PubChem CID 4192923) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-ylpyrimidine-2,4-dione
PubChem CID4192923
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-ylpyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCOCC2)n(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C16H17F2N3O3/c1-19-15(22)9-14(20-4-6-24-7-5-20)21(16(19)23)10-11-2-3-12(17)8-13(11)18/h2-3,8-9H,4-7,10H2,1H3
InChIKeyBNWJJSRUBMUBAF-UHFFFAOYSA-N
XLogP0.71
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-ylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-ylpyrimidine-2,4-dione (CID 4192923) is 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-ylpyrimidine-2,4-dione is Cn1c(=O)cc(N2CCOCC2)n(Cc2ccc(F)cc2F)c1=O.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-ylpyrimidine-2,4-dione?
The InChIKey is BNWJJSRUBMUBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-19-15(22)9-14(20-4-6-24-7-5-20)21(16(19)23)10-11-2-3-12(17)8-13(11)18/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-ylpyrimidine-2,4-dione?
1-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-ylpyrimidine-2,4-dione has a molecular weight of 337.33 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-ylpyrimidine-2,4-dione is sourced from PubChem (CID 4192923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).