6-amino-3-[methoxy(phenyl)methyl]-1-methyl-5-nitrosopyrimidine-2,4-dione

C13H14N4O4 — CID 142728898

IUPAC6-amino-3-[methoxy(phenyl)methyl]-1-methyl-5-nitrosopyrimidine-2,4-dione
SMILESCOC(c1ccccc1)n1c(=O)c(N=O)c(N)n(C)c1=O
InChIInChI=1S/C13H14N4O4/c1-16-10(14)9(15-20)11(18)17(13(16)19)12(21-2)8-6-4-3-5-7-8/h3-7,12H,14H2,1-2H3
InChIKeySLWCKHPOGCULSX-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.72
Rot. Bonds4

About 6-amino-3-[methoxy(phenyl)methyl]-1-methyl-5-nitrosopyrimidine-2,4-dione

6-amino-3-[methoxy(phenyl)methyl]-1-methyl-5-nitrosopyrimidine-2,4-dione (PubChem CID 142728898) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 6-amino-3-[methoxy(phenyl)methyl]-1-methyl-5-nitrosopyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-[methoxy(phenyl)methyl]-1-methyl-5-nitrosopyrimidine-2,4-dione
PubChem CID142728898
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name6-amino-3-[methoxy(phenyl)methyl]-1-methyl-5-nitrosopyrimidine-2,4-dione
SMILESCOC(c1ccccc1)n1c(=O)c(N=O)c(N)n(C)c1=O
InChIInChI=1S/C13H14N4O4/c1-16-10(14)9(15-20)11(18)17(13(16)19)12(21-2)8-6-4-3-5-7-8/h3-7,12H,14H2,1-2H3
InChIKeySLWCKHPOGCULSX-UHFFFAOYSA-N
XLogP0.72
TPSA108.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-1-methyl-5-nitroso-3-(3-phenylpropyl)pyrimidine-2,4-dione
CID 10913196
6-amino-5-(2-amino-1-phenylethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 45496500
1-methyl-3-nitroso-2-(1-phenylpropyl)indole
CID 155676884
6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
CID 11033526
2-[methoxy(phenyl)methyl]phthalazin-1-one
CID 172771685
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methoxy-2-phenylacetamide
CID 40612688
6-amino-5-[(5-hydroxybenzo[a]phenazin-6-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 139221302
N-[1-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 598377
5-[chloro(phenyl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 62300779
2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one
CID 135712962
methyl (2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-2-phenylacetate
CID 27242314
methyl (2S)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-2-phenylacetate
CID 27242310

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[methoxy(phenyl)methyl]-1-methyl-5-nitrosopyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-[methoxy(phenyl)methyl]-1-methyl-5-nitrosopyrimidine-2,4-dione (CID 142728898) is 6-amino-3-[methoxy(phenyl)methyl]-1-methyl-5-nitrosopyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-[methoxy(phenyl)methyl]-1-methyl-5-nitrosopyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-[methoxy(phenyl)methyl]-1-methyl-5-nitrosopyrimidine-2,4-dione is COC(c1ccccc1)n1c(=O)c(N=O)c(N)n(C)c1=O.
What is the InChIKey of 6-amino-3-[methoxy(phenyl)methyl]-1-methyl-5-nitrosopyrimidine-2,4-dione?
The InChIKey is SLWCKHPOGCULSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-16-10(14)9(15-20)11(18)17(13(16)19)12(21-2)8-6-4-3-5-7-8/h3-7,12H,14H2,1-2H3.
What are the key properties of 6-amino-3-[methoxy(phenyl)methyl]-1-methyl-5-nitrosopyrimidine-2,4-dione?
6-amino-3-[methoxy(phenyl)methyl]-1-methyl-5-nitrosopyrimidine-2,4-dione has a molecular weight of 290.28 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[methoxy(phenyl)methyl]-1-methyl-5-nitrosopyrimidine-2,4-dione is sourced from PubChem (CID 142728898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).