6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

C14H16N4O4 — CID 7080820

IUPAC6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O
InChIInChI=1S/C14H16N4O4/c1-16-12(19)9-11(15-14(16)21)17-4-6-18(7-5-17)13(20)10-3-2-8-22-10/h2-3,8-9H,4-7H2,1H3,(H,15,21)
InChIKeyUNCPQGJJDZWQEE-UHFFFAOYSA-N
MW304.31 g/mol
LogP-0.37
Rot. Bonds2

About 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 7080820) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID7080820
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O
InChIInChI=1S/C14H16N4O4/c1-16-12(19)9-11(15-14(16)21)17-4-6-18(7-5-17)13(20)10-3-2-8-22-10/h2-3,8-9H,4-7H2,1H3,(H,15,21)
InChIKeyUNCPQGJJDZWQEE-UHFFFAOYSA-N
XLogP-0.37
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Furoyl)piperazine
CID 550206
4-(Furan-2-carbonyl)piperazine-1-carboxamide
CID 762331
4-Acetyl 1-(2-furoyl)piperazine
CID 565340
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 694979
1-[4-(2-Furoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 750519
N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 4591666
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 3158289
1-(Furan-2-carbonyl)imidazolidin-2-one
CID 1266917
1-(Furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 2269367
1,4-Bis(furan-2-ylcarbonyl)piperazine
CID 336735
1-(2-Furoyl)piperazine Hydrochloride
CID 12289910
ST50925815
CID 1203008

Frequently Asked Questions

What is the IUPAC name of 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (CID 7080820) is 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O.
What is the InChIKey of 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is UNCPQGJJDZWQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-16-12(19)9-11(15-14(16)21)17-4-6-18(7-5-17)13(20)10-3-2-8-22-10/h2-3,8-9H,4-7H2,1H3,(H,15,21).
What are the key properties of 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 304.31 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 7080820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).