6-(dodecylamino)-5-nitroso-1H-pyrimidine-2,4-dione

C16H28N4O3 — CID 11723775

IUPAC6-(dodecylamino)-5-nitroso-1H-pyrimidine-2,4-dione
SMILESCCCCCCCCCCCCNc1[nH]c(=O)[nH]c(=O)c1N=O
InChIInChI=1S/C16H28N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-14-13(20-23)15(21)19-16(22)18-14/h2-12H2,1H3,(H3,17,18,19,21,22)
InChIKeyGSVWUPJNSNYYPZ-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.79
Rot. Bonds13

About 6-(dodecylamino)-5-nitroso-1H-pyrimidine-2,4-dione

6-(dodecylamino)-5-nitroso-1H-pyrimidine-2,4-dione (PubChem CID 11723775) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 6-(dodecylamino)-5-nitroso-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(dodecylamino)-5-nitroso-1H-pyrimidine-2,4-dione
PubChem CID11723775
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name6-(dodecylamino)-5-nitroso-1H-pyrimidine-2,4-dione
SMILESCCCCCCCCCCCCNc1[nH]c(=O)[nH]c(=O)c1N=O
InChIInChI=1S/C16H28N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-14-13(20-23)15(21)19-16(22)18-14/h2-12H2,1H3,(H3,17,18,19,21,22)
InChIKeyGSVWUPJNSNYYPZ-UHFFFAOYSA-N
XLogP3.79
TPSA107.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-nitroso-6-(octylamino)-1H-pyrimidine-2,4-dione
CID 12782103
ethane;2-[[6-(5-hydroxypentylamino)-2,4-dioxo-1H-pyrimidin-5-yl]imino]acetaldehyde
CID 144935313
6-(nonylamino)-1H-pyrimidine-2,4-dione
CID 146025741
5-bromo-6-(heptylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741354
6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione
CID 10331856
5-amino-3-methyl-6-(octadecylamino)-1H-pyrimidine-2,4-dione
CID 10409207
5-ethyl-6-(4-phenylbutylamino)-1H-pyrimidine-2,4-dione
CID 10565219
3-(dodecylamino)-1H-pyrazin-2-one
CID 146198869
6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione
CID 12782102
6-chloro-5-hexyl-1H-pyrimidine-2,4-dione
CID 23648511
6-[(4-amino-5-nitroso-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
CID 135538028
3-(hexylamino)-4-(hydroxyamino)cyclobut-3-ene-1,2-dione
CID 11528595

Frequently Asked Questions

What is the IUPAC name of 6-(dodecylamino)-5-nitroso-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(dodecylamino)-5-nitroso-1H-pyrimidine-2,4-dione (CID 11723775) is 6-(dodecylamino)-5-nitroso-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(dodecylamino)-5-nitroso-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(dodecylamino)-5-nitroso-1H-pyrimidine-2,4-dione is CCCCCCCCCCCCNc1[nH]c(=O)[nH]c(=O)c1N=O.
What is the InChIKey of 6-(dodecylamino)-5-nitroso-1H-pyrimidine-2,4-dione?
The InChIKey is GSVWUPJNSNYYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-14-13(20-23)15(21)19-16(22)18-14/h2-12H2,1H3,(H3,17,18,19,21,22).
What are the key properties of 6-(dodecylamino)-5-nitroso-1H-pyrimidine-2,4-dione?
6-(dodecylamino)-5-nitroso-1H-pyrimidine-2,4-dione has a molecular weight of 324.43 g/mol, XLogP of 3.79, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dodecylamino)-5-nitroso-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11723775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).