6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione

C14H20N4O3 — CID 39101032

IUPAC6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione
SMILESCCN(CC)Cc1c(N)n(Cc2ccco2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N4O3/c1-3-17(4-2)9-11-12(15)18(14(20)16-13(11)19)8-10-6-5-7-21-10/h5-7H,3-4,8-9,15H2,1-2H3,(H,16,19,20)
InChIKeyZCVAFBJIWXTQJL-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.60
Rot. Bonds6

About 6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione

6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 39101032) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID39101032
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione
SMILESCCN(CC)Cc1c(N)n(Cc2ccco2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N4O3/c1-3-17(4-2)9-11-12(15)18(14(20)16-13(11)19)8-10-6-5-7-21-10/h5-7H,3-4,8-9,15H2,1-2H3,(H,16,19,20)
InChIKeyZCVAFBJIWXTQJL-UHFFFAOYSA-N
XLogP0.60
TPSA97.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione
CID 39101039
5-(ethyliminomethyl)-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 137144670
5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 3741391
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 26195847
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)cyclobutanecarboxamide
CID 7918639
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide
CID 17435455
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide
CID 30842008
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55336951
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 16549492
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 26195848
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)acetamide
CID 30846728
6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione
CID 121220119

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione (CID 39101032) is 6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione is CCN(CC)Cc1c(N)n(Cc2ccco2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is ZCVAFBJIWXTQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-3-17(4-2)9-11-12(15)18(14(20)16-13(11)19)8-10-6-5-7-21-10/h5-7H,3-4,8-9,15H2,1-2H3,(H,16,19,20).
What are the key properties of 6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione?
6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 292.34 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 39101032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).