2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one

C15H18N4O3 — CID 135448588

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(C(=O)c3ccco3)CC2)[nH]c(=O)c1C
InChIInChI=1S/C15H18N4O3/c1-10-11(2)16-15(17-13(10)20)19-7-5-18(6-8-19)14(21)12-4-3-9-22-12/h3-4,9H,5-8H2,1-2H3,(H,16,17,20)
InChIKeyOQMMRSIRWZGALI-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.94
Rot. Bonds2

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135448588) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135448588
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(C(=O)c3ccco3)CC2)[nH]c(=O)c1C
InChIInChI=1S/C15H18N4O3/c1-10-11(2)16-15(17-13(10)20)19-7-5-18(6-8-19)14(21)12-4-3-9-22-12/h3-4,9H,5-8H2,1-2H3,(H,16,17,20)
InChIKeyOQMMRSIRWZGALI-UHFFFAOYSA-N
XLogP0.94
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-bromophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135687595
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
(2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 110854793
[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 42802463
furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53117750
furan-2-yl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110603036
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
CID 44582763
furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 131940830
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112890442

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 135448588) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(N2CCN(C(=O)c3ccco3)CC2)[nH]c(=O)c1C.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is OQMMRSIRWZGALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-10-11(2)16-15(17-13(10)20)19-7-5-18(6-8-19)14(21)12-4-3-9-22-12/h3-4,9H,5-8H2,1-2H3,(H,16,17,20).
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 302.33 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135448588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).