6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione

C16H20N4O4 — CID 53107533

IUPAC6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N2CCCN(C(=O)c3ccco3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H20N4O4/c1-17-13(11-14(21)18(2)16(17)23)19-6-4-7-20(9-8-19)15(22)12-5-3-10-24-12/h3,5,10-11H,4,6-9H2,1-2H3
InChIKeySULXEYLCNRKUJZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.03
Rot. Bonds2

About 6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione

6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 53107533) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID53107533
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N2CCCN(C(=O)c3ccco3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H20N4O4/c1-17-13(11-14(21)18(2)16(17)23)19-6-4-7-20(9-8-19)15(22)12-5-3-10-24-12/h3,5,10-11H,4,6-9H2,1-2H3
InChIKeySULXEYLCNRKUJZ-UHFFFAOYSA-N
XLogP0.03
TPSA80.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

azepan-1-yl(furan-2-yl)methanone
CID 5200992
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
1,3-dimethyl-6-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione
CID 53107470
5-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 110807809
4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1-methylquinolin-2-one
CID 3236948
3-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 137341082
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407
[4-(5-chloropyrimidin-2-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 86778300
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 55119191
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 43251904

Frequently Asked Questions

What is the IUPAC name of 6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 53107533) is 6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N2CCCN(C(=O)c3ccco3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is SULXEYLCNRKUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-17-13(11-14(21)18(2)16(17)23)19-6-4-7-20(9-8-19)15(22)12-5-3-10-24-12/h3,5,10-11H,4,6-9H2,1-2H3.
What are the key properties of 6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 332.36 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 53107533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).