6-[1-(2-propylfuran-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione

C16H19N3O4 — CID 126834305

IUPAC6-[1-(2-propylfuran-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCCCc1occc1C(=O)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C16H19N3O4/c1-2-3-13-11(5-7-23-13)15(21)19-6-4-10(9-19)12-8-14(20)18-16(22)17-12/h5,7-8,10H,2-4,6,9H2,1H3,(H2,17,18,20,22)
InChIKeyMPIBLNMKSYLKCU-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.24
Rot. Bonds4

About 6-[1-(2-propylfuran-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione

6-[1-(2-propylfuran-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 126834305) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 6-[1-(2-propylfuran-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[1-(2-propylfuran-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID126834305
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name6-[1-(2-propylfuran-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCCCc1occc1C(=O)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C16H19N3O4/c1-2-3-13-11(5-7-23-13)15(21)19-6-4-10(9-19)12-8-14(20)18-16(22)17-12/h5,7-8,10H,2-4,6,9H2,1H3,(H2,17,18,20,22)
InChIKeyMPIBLNMKSYLKCU-UHFFFAOYSA-N
XLogP1.24
TPSA99.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(2-fluoro-3-propan-2-ylbenzoyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
CID 167772994
6-[1-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
CID 155955636
6-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
CID 167899353
N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide
CID 138031399
[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-(2-propylfuran-3-yl)methanone
CID 126830053
[(2R)-2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone
CID 129485439
2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid
CID 114217888
(3,5-dimethylpiperazin-1-yl)-(2-ethylfuran-3-yl)methanone
CID 114103325
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(4-methylphenoxy)methyl]furan-3-yl]methanone
CID 56918960
5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide
CID 166394355
2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136765936
(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 106853680

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-propylfuran-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[1-(2-propylfuran-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione (CID 126834305) is 6-[1-(2-propylfuran-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[1-(2-propylfuran-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[1-(2-propylfuran-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione is CCCc1occc1C(=O)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 6-[1-(2-propylfuran-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is MPIBLNMKSYLKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-2-3-13-11(5-7-23-13)15(21)19-6-4-10(9-19)12-8-14(20)18-16(22)17-12/h5,7-8,10H,2-4,6,9H2,1H3,(H2,17,18,20,22).
What are the key properties of 6-[1-(2-propylfuran-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
6-[1-(2-propylfuran-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 317.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-propylfuran-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126834305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).