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

C16H19F2N3O4 — CID 4653752

IUPAC1-[(2,4-difluorophenyl)methyl]-6-(2,2-dimethoxyethylamino)-3-methylpyrimidine-2,4-dione
SMILESCOC(CNc1cc(=O)n(C)c(=O)n1Cc1ccc(F)cc1F)OC
InChIInChI=1S/C16H19F2N3O4/c1-20-14(22)7-13(19-8-15(24-2)25-3)21(16(20)23)9-10-4-5-11(17)6-12(10)18/h4-7,15,19H,8-9H2,1-3H3
InChIKeyGQOVJYWJEKTPLV-UHFFFAOYSA-N
MW355.34 g/mol
LogP0.90
Rot. Bonds7

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

1-[(2,4-difluorophenyl)methyl]-6-(2,2-dimethoxyethylamino)-3-methylpyrimidine-2,4-dione (PubChem CID 4653752) has the molecular formula C16H19F2N3O4 and a molecular weight of 355.34 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-6-(2,2-dimethoxyethylamino)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-6-(2,2-dimethoxyethylamino)-3-methylpyrimidine-2,4-dione
PubChem CID4653752
Molecular FormulaC16H19F2N3O4
Molecular Weight355.34 g/mol
Exact Mass355.13
IUPAC Name1-[(2,4-difluorophenyl)methyl]-6-(2,2-dimethoxyethylamino)-3-methylpyrimidine-2,4-dione
SMILESCOC(CNc1cc(=O)n(C)c(=O)n1Cc1ccc(F)cc1F)OC
InChIInChI=1S/C16H19F2N3O4/c1-20-14(22)7-13(19-8-15(24-2)25-3)21(16(20)23)9-10-4-5-11(17)6-12(10)18/h4-7,15,19H,8-9H2,1-3H3
InChIKeyGQOVJYWJEKTPLV-UHFFFAOYSA-N
XLogP0.90
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(R)-3-(2,2-Dimethoxy-ethyl)-2,4,8-trioxo-6-phenyl-2,3,4,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-7-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10697956
3-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
CID 4621937
N-(2,2-dimethoxyethyl)-2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 24761159
6-(2,6-dimethylmorpholino)-3-(4-fluorobenzyl)pyrimidine-2,4(1H,3H)-dione
CID 5310075
6-[(4-Fluorophenyl)methylamino]-1,3-dimethylpyrimidine-2,4-dione
CID 2826426
1-(2-Methoxyethyl)-6-(4-phenylbutylamino)pyrimidine-2,4-dione
CID 10734267
3-(2-methoxyethyl)-6-(4-phenylbutylamino)-1H-pyrimidine-2,4-dione
CID 10852967
N-(1,1-dimethoxypropan-2-ylcarbamoyl)-2,6-difluorobenzamide
CID 2798653
1-[(2,4-Difluorophenyl)methyl]-6-(3-hydroxypropylamino)-3-methylpyrimidine-2,4-dione
CID 3599040
1-[(2,4-Difluorophenyl)methyl]-3-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-2,4-dione
CID 3610949
6-(Benzylamino)-1-[(2,4-difluorophenyl)methyl]-3-methylpyrimidine-2,4-dione
CID 3681759
6-(2-Methoxyethylamino)-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 4123869

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6-(2,2-dimethoxyethylamino)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6-(2,2-dimethoxyethylamino)-3-methylpyrimidine-2,4-dione (CID 4653752) is 1-[(2,4-difluorophenyl)methyl]-6-(2,2-dimethoxyethylamino)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-6-(2,2-dimethoxyethylamino)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-6-(2,2-dimethoxyethylamino)-3-methylpyrimidine-2,4-dione is COC(CNc1cc(=O)n(C)c(=O)n1Cc1ccc(F)cc1F)OC.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-6-(2,2-dimethoxyethylamino)-3-methylpyrimidine-2,4-dione?
The InChIKey is GQOVJYWJEKTPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O4/c1-20-14(22)7-13(19-8-15(24-2)25-3)21(16(20)23)9-10-4-5-11(17)6-12(10)18/h4-7,15,19H,8-9H2,1-3H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-6-(2,2-dimethoxyethylamino)-3-methylpyrimidine-2,4-dione?
1-[(2,4-difluorophenyl)methyl]-6-(2,2-dimethoxyethylamino)-3-methylpyrimidine-2,4-dione has a molecular weight of 355.34 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-6-(2,2-dimethoxyethylamino)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 4653752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).