5-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione

C16H17F2N3O3 — CID 3471120

IUPAC5-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N2CCOCC2)c(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C16H17F2N3O3/c1-20-15(22)12(8-10-2-3-11(17)9-13(10)18)14(19-16(20)23)21-4-6-24-7-5-21/h2-3,9H,4-8H2,1H3,(H,19,23)
InChIKeyDTBBWQZFMDNFRG-UHFFFAOYSA-N
MW337.33 g/mol
LogP0.78
Rot. Bonds3

About 5-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione

5-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione (PubChem CID 3471120) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
PubChem CID3471120
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name5-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N2CCOCC2)c(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C16H17F2N3O3/c1-20-15(22)12(8-10-2-3-11(17)9-13(10)18)14(19-16(20)23)21-4-6-24-7-5-21/h2-3,9H,4-8H2,1H3,(H,19,23)
InChIKeyDTBBWQZFMDNFRG-UHFFFAOYSA-N
XLogP0.78
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione (CID 3471120) is 5-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]c(N2CCOCC2)c(Cc2ccc(F)cc2F)c1=O.
What is the InChIKey of 5-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The InChIKey is DTBBWQZFMDNFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-20-15(22)12(8-10-2-3-11(17)9-13(10)18)14(19-16(20)23)21-4-6-24-7-5-21/h2-3,9H,4-8H2,1H3,(H,19,23).
What are the key properties of 5-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
5-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione has a molecular weight of 337.33 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3471120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).