6-amino-1-methyl-5-nitroso-3-(3-phenylpropyl)pyrimidine-2,4-dione

C14H16N4O3 — CID 10913196

IUPAC6-amino-1-methyl-5-nitroso-3-(3-phenylpropyl)pyrimidine-2,4-dione
SMILESCn1c(N)c(N=O)c(=O)n(CCCc2ccccc2)c1=O
InChIInChI=1S/C14H16N4O3/c1-17-12(15)11(16-21)13(19)18(14(17)20)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9,15H2,1H3
InChIKeyUNFKDBKBOOQCAC-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.16
Rot. Bonds5

About 6-amino-1-methyl-5-nitroso-3-(3-phenylpropyl)pyrimidine-2,4-dione

6-amino-1-methyl-5-nitroso-3-(3-phenylpropyl)pyrimidine-2,4-dione (PubChem CID 10913196) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 6-amino-1-methyl-5-nitroso-3-(3-phenylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-nitroso-3-(3-phenylpropyl)pyrimidine-2,4-dione
PubChem CID10913196
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name6-amino-1-methyl-5-nitroso-3-(3-phenylpropyl)pyrimidine-2,4-dione
SMILESCn1c(N)c(N=O)c(=O)n(CCCc2ccccc2)c1=O
InChIInChI=1S/C14H16N4O3/c1-17-12(15)11(16-21)13(19)18(14(17)20)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9,15H2,1H3
InChIKeyUNFKDBKBOOQCAC-UHFFFAOYSA-N
XLogP1.16
TPSA99.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-3-[methoxy(phenyl)methyl]-1-methyl-5-nitrosopyrimidine-2,4-dione
CID 142728898
6-amino-1-[3-(4-methoxyphenyl)propyl]-5-nitrosopyrimidine-2,4-dione
CID 19699164
6-(4-chlorophenyl)-4-methyl-2-(3-phenylpropyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 5001791
8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
CID 53275855
6-amino-1-(3-methoxypropyl)-5-nitroso-3-propylpyrimidine-2,4-dione
CID 121223350
N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-phenylpropyl)quinazoline-6-carboxamide
CID 10115305
1-methyl-9-(4-phenoxyphenyl)-3-(3-phenylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 3818247
4-amino-5-ethyl-1-methyl-2-(3-phenylpropyl)pyrazol-3-one
CID 63265883
ethane;ethyl (1E)-N-[1-butyl-3-methyl-2,6-dioxo-5-(2-phenylethyl)pyrimidin-4-yl]ethanimidate
CID 144707387
6-methyl-2-oxo-1-(4-phenylbutyl)pyridine-3-carbothioamide
CID 107073266
1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 155977216
6-amino-3-benzyl-2-methoxy-5-nitrosopyrimidin-4-one
CID 71458233

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-nitroso-3-(3-phenylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-nitroso-3-(3-phenylpropyl)pyrimidine-2,4-dione (CID 10913196) is 6-amino-1-methyl-5-nitroso-3-(3-phenylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-nitroso-3-(3-phenylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-nitroso-3-(3-phenylpropyl)pyrimidine-2,4-dione is Cn1c(N)c(N=O)c(=O)n(CCCc2ccccc2)c1=O.
What is the InChIKey of 6-amino-1-methyl-5-nitroso-3-(3-phenylpropyl)pyrimidine-2,4-dione?
The InChIKey is UNFKDBKBOOQCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-17-12(15)11(16-21)13(19)18(14(17)20)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9,15H2,1H3.
What are the key properties of 6-amino-1-methyl-5-nitroso-3-(3-phenylpropyl)pyrimidine-2,4-dione?
6-amino-1-methyl-5-nitroso-3-(3-phenylpropyl)pyrimidine-2,4-dione has a molecular weight of 288.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-nitroso-3-(3-phenylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10913196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).