6-amino-1-(3-methoxypropyl)-5-nitroso-3-propylpyrimidine-2,4-dione

C11H18N4O4 — CID 121223350

IUPAC6-amino-1-(3-methoxypropyl)-5-nitroso-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)c(N=O)c(N)n(CCCOC)c1=O
InChIInChI=1S/C11H18N4O4/c1-3-5-15-10(16)8(13-18)9(12)14(11(15)17)6-4-7-19-2/h3-7,12H2,1-2H3
InChIKeyHPXYKQJQRGOLDO-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.44
Rot. Bonds7

About 6-amino-1-(3-methoxypropyl)-5-nitroso-3-propylpyrimidine-2,4-dione

6-amino-1-(3-methoxypropyl)-5-nitroso-3-propylpyrimidine-2,4-dione (PubChem CID 121223350) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 6-amino-1-(3-methoxypropyl)-5-nitroso-3-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(3-methoxypropyl)-5-nitroso-3-propylpyrimidine-2,4-dione
PubChem CID121223350
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name6-amino-1-(3-methoxypropyl)-5-nitroso-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)c(N=O)c(N)n(CCCOC)c1=O
InChIInChI=1S/C11H18N4O4/c1-3-5-15-10(16)8(13-18)9(12)14(11(15)17)6-4-7-19-2/h3-7,12H2,1-2H3
InChIKeyHPXYKQJQRGOLDO-UHFFFAOYSA-N
XLogP0.44
TPSA108.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-(furan-2-ylmethyl)-5-nitroso-3-propylpyrimidine-2,4-dione
CID 121012222
8-amino-1-ethyl-3-(3-methoxypropyl)-7-methylpurine-2,6-dione
CID 82465130
6-amino-1-ethyl-5-methyl-3-propylpyrimidine-2,4-dione
CID 143218476
6-amino-1-methyl-5-nitroso-3-(3-phenylpropyl)pyrimidine-2,4-dione
CID 10913196
4-amino-2,6-dioxo-1,3-dipropylpyrimidine-5-carbothialdehyde
CID 134924000
5-amino-3-[2-(3-methoxypropoxy)ethyl]-1-propylpyrimidine-2,4-dione
CID 103179648
3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione
CID 63810122
6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 65047999
6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione
CID 10331856
5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione
CID 14257879
1-(2-aminoethyl)-7-ethyl-3-(3-methoxypropyl)-8-methylpurine-2,6-dione
CID 82466657
4-amino-1,3-dibutyl-2,6-dioxopyrimidine-5-carbothioamide
CID 11738085

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(3-methoxypropyl)-5-nitroso-3-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(3-methoxypropyl)-5-nitroso-3-propylpyrimidine-2,4-dione (CID 121223350) is 6-amino-1-(3-methoxypropyl)-5-nitroso-3-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(3-methoxypropyl)-5-nitroso-3-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(3-methoxypropyl)-5-nitroso-3-propylpyrimidine-2,4-dione is CCCn1c(=O)c(N=O)c(N)n(CCCOC)c1=O.
What is the InChIKey of 6-amino-1-(3-methoxypropyl)-5-nitroso-3-propylpyrimidine-2,4-dione?
The InChIKey is HPXYKQJQRGOLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-3-5-15-10(16)8(13-18)9(12)14(11(15)17)6-4-7-19-2/h3-7,12H2,1-2H3.
What are the key properties of 6-amino-1-(3-methoxypropyl)-5-nitroso-3-propylpyrimidine-2,4-dione?
6-amino-1-(3-methoxypropyl)-5-nitroso-3-propylpyrimidine-2,4-dione has a molecular weight of 270.29 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3-methoxypropyl)-5-nitroso-3-propylpyrimidine-2,4-dione is sourced from PubChem (CID 121223350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).