5-[dimethoxyphosphoryl-(4-methoxyanilino)methyl]-1H-pyrimidine-2,4-dione

C14H18N3O6P — CID 46894687

IUPAC5-[dimethoxyphosphoryl-(4-methoxyanilino)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(NC(c2c[nH]c(=O)[nH]c2=O)P(=O)(OC)OC)cc1
InChIInChI=1S/C14H18N3O6P/c1-21-10-6-4-9(5-7-10)16-13(24(20,22-2)23-3)11-8-15-14(19)17-12(11)18/h4-8,13,16H,1-3H3,(H2,15,17,18,19)
InChIKeyHCDDRJNZTARAKR-UHFFFAOYSA-N
MW355.29 g/mol
LogP1.67
Rot. Bonds7

About 5-[dimethoxyphosphoryl-(4-methoxyanilino)methyl]-1H-pyrimidine-2,4-dione

5-[dimethoxyphosphoryl-(4-methoxyanilino)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 46894687) has the molecular formula C14H18N3O6P and a molecular weight of 355.29 g/mol. Its IUPAC name is 5-[dimethoxyphosphoryl-(4-methoxyanilino)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[dimethoxyphosphoryl-(4-methoxyanilino)methyl]-1H-pyrimidine-2,4-dione
PubChem CID46894687
Molecular FormulaC14H18N3O6P
Molecular Weight355.29 g/mol
Exact Mass355.09
IUPAC Name5-[dimethoxyphosphoryl-(4-methoxyanilino)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(NC(c2c[nH]c(=O)[nH]c2=O)P(=O)(OC)OC)cc1
InChIInChI=1S/C14H18N3O6P/c1-21-10-6-4-9(5-7-10)16-13(24(20,22-2)23-3)11-8-15-14(19)17-12(11)18/h4-8,13,16H,1-3H3,(H2,15,17,18,19)
InChIKeyHCDDRJNZTARAKR-UHFFFAOYSA-N
XLogP1.67
TPSA122.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline
CID 3558398
N-[(R)-diethoxyphosphoryl(1H-indol-3-yl)methyl]-4-methoxyaniline
CID 7034048
5-(4-methoxyphenyl)sulfanyl-1H-pyrimidine-2,4-dione
CID 147803297
N-[(2,4-dimethoxyphenyl)-di(propan-2-yloxy)phosphorylmethyl]-4-methoxyaniline
CID 21210947
N-[dimethoxyphosphoryl(phenyl)methyl]-4-ethoxyaniline
CID 630631
5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione
CID 21077558
N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110851663
N-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline
CID 102204724
N-[bis(diethoxyphosphoryl)methyl]-4-methoxyaniline
CID 101468043
N-[dimethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)aniline
CID 11575500
N-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110860019
N-(2,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7161235

Frequently Asked Questions

What is the IUPAC name of 5-[dimethoxyphosphoryl-(4-methoxyanilino)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[dimethoxyphosphoryl-(4-methoxyanilino)methyl]-1H-pyrimidine-2,4-dione (CID 46894687) is 5-[dimethoxyphosphoryl-(4-methoxyanilino)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[dimethoxyphosphoryl-(4-methoxyanilino)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[dimethoxyphosphoryl-(4-methoxyanilino)methyl]-1H-pyrimidine-2,4-dione is COc1ccc(NC(c2c[nH]c(=O)[nH]c2=O)P(=O)(OC)OC)cc1.
What is the InChIKey of 5-[dimethoxyphosphoryl-(4-methoxyanilino)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HCDDRJNZTARAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N3O6P/c1-21-10-6-4-9(5-7-10)16-13(24(20,22-2)23-3)11-8-15-14(19)17-12(11)18/h4-8,13,16H,1-3H3,(H2,15,17,18,19).
What are the key properties of 5-[dimethoxyphosphoryl-(4-methoxyanilino)methyl]-1H-pyrimidine-2,4-dione?
5-[dimethoxyphosphoryl-(4-methoxyanilino)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 355.29 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dimethoxyphosphoryl-(4-methoxyanilino)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 46894687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).