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

C20H20N4O4 — CID 5310020

IUPAC6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(=O)cc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O
InChIInChI=1S/C20H20N4O4/c1-14-5-2-3-6-15(14)24-18(25)13-17(21-20(24)27)22-8-10-23(11-9-22)19(26)16-7-4-12-28-16/h2-7,12-13H,8-11H2,1H3,(H,21,27)
InChIKeyPLMPKQWVNWFKBS-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.39
Rot. Bonds3

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

6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 5310020) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID5310020
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(=O)cc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O
InChIInChI=1S/C20H20N4O4/c1-14-5-2-3-6-15(14)24-18(25)13-17(21-20(24)27)22-8-10-23(11-9-22)19(26)16-7-4-12-28-16/h2-7,12-13H,8-11H2,1H3,(H,21,27)
InChIKeyPLMPKQWVNWFKBS-UHFFFAOYSA-N
XLogP1.39
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358026
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135448588
furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53117750
1-[5-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylphenyl]ethanone
CID 975790
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 131940830
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 113080480
4-(furan-2-carbonyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-dihydroimidazol-2-one
CID 20504041
furan-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112875479
3-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 137341082
[4-(6-amino-5-methyl-3-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 83970287

Frequently Asked Questions

What is the IUPAC name of 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione (CID 5310020) is 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione is Cc1ccccc1-n1c(=O)cc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O.
What is the InChIKey of 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is PLMPKQWVNWFKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-14-5-2-3-6-15(14)24-18(25)13-17(21-20(24)27)22-8-10-23(11-9-22)19(26)16-7-4-12-28-16/h2-7,12-13H,8-11H2,1H3,(H,21,27).
What are the key properties of 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione?
6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 380.40 g/mol, XLogP of 1.39, 3 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-(2-methylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 5310020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).