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

C12H14N4O4 — CID 121012222

IUPAC6-amino-1-(furan-2-ylmethyl)-5-nitroso-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)c(N=O)c(N)n(Cc2ccco2)c1=O
InChIInChI=1S/C12H14N4O4/c1-2-5-15-11(17)9(14-19)10(13)16(12(15)18)7-8-4-3-6-20-8/h3-4,6H,2,5,7,13H2,1H3
InChIKeyBLVXPCQDJHOUGC-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.04
Rot. Bonds5

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

6-amino-1-(furan-2-ylmethyl)-5-nitroso-3-propylpyrimidine-2,4-dione (PubChem CID 121012222) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 6-amino-1-(furan-2-ylmethyl)-5-nitroso-3-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(furan-2-ylmethyl)-5-nitroso-3-propylpyrimidine-2,4-dione
PubChem CID121012222
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name6-amino-1-(furan-2-ylmethyl)-5-nitroso-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)c(N=O)c(N)n(Cc2ccco2)c1=O
InChIInChI=1S/C12H14N4O4/c1-2-5-15-11(17)9(14-19)10(13)16(12(15)18)7-8-4-3-6-20-8/h3-4,6H,2,5,7,13H2,1H3
InChIKeyBLVXPCQDJHOUGC-UHFFFAOYSA-N
XLogP1.04
TPSA112.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione
CID 121220119
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9332579
5,6-diamino-1-benzyl-3-propylpyrimidine-2,4-dione
CID 11254336
6-amino-1-ethyl-5-methyl-3-propylpyrimidine-2,4-dione
CID 143218476
6-amino-1-(furan-2-ylmethyl)-3-prop-2-ynylpyrimidine-2,4-dione
CID 121010834
6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione
CID 39101032
8-[(E)-2-(furan-2-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
CID 10854786
1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626457
1-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)quinazoline-2,4-dione
CID 4618338
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
1-(furan-2-ylmethyl)-5-propyltriazol-4-amine
CID 79543353
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] furan-2-carboxylate
CID 7814367

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(furan-2-ylmethyl)-5-nitroso-3-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(furan-2-ylmethyl)-5-nitroso-3-propylpyrimidine-2,4-dione (CID 121012222) is 6-amino-1-(furan-2-ylmethyl)-5-nitroso-3-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(furan-2-ylmethyl)-5-nitroso-3-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(furan-2-ylmethyl)-5-nitroso-3-propylpyrimidine-2,4-dione is CCCn1c(=O)c(N=O)c(N)n(Cc2ccco2)c1=O.
What is the InChIKey of 6-amino-1-(furan-2-ylmethyl)-5-nitroso-3-propylpyrimidine-2,4-dione?
The InChIKey is BLVXPCQDJHOUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-2-5-15-11(17)9(14-19)10(13)16(12(15)18)7-8-4-3-6-20-8/h3-4,6H,2,5,7,13H2,1H3.
What are the key properties of 6-amino-1-(furan-2-ylmethyl)-5-nitroso-3-propylpyrimidine-2,4-dione?
6-amino-1-(furan-2-ylmethyl)-5-nitroso-3-propylpyrimidine-2,4-dione has a molecular weight of 278.27 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(furan-2-ylmethyl)-5-nitroso-3-propylpyrimidine-2,4-dione is sourced from PubChem (CID 121012222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).