[2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate

C15H15N3O6 — CID 9381073

IUPAC[2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H15N3O6/c1-7-9(4-5-23-7)14(21)24-6-10(19)11-12(16)18(8-2-3-8)15(22)17-13(11)20/h4-5,8H,2-3,6,16H2,1H3,(H,17,20,22)
InChIKeyBIUHKFOYTJCWSW-UHFFFAOYSA-N
MW333.30 g/mol
LogP0.39
Rot. Bonds5

About [2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate

[2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate (PubChem CID 9381073) has the molecular formula C15H15N3O6 and a molecular weight of 333.30 g/mol. Its IUPAC name is [2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate
PubChem CID9381073
Molecular FormulaC15H15N3O6
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC Name[2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H15N3O6/c1-7-9(4-5-23-7)14(21)24-6-10(19)11-12(16)18(8-2-3-8)15(22)17-13(11)20/h4-5,8H,2-3,6,16H2,1H3,(H,17,20,22)
InChIKeyBIUHKFOYTJCWSW-UHFFFAOYSA-N
XLogP0.39
TPSA137.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate with MolForge

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Related Compounds

[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663893
[2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(3,5-dimethoxyphenyl)propanoate
CID 9477118
ethyl 2,4-dimethyl-5-[2-(2-methylfuran-3-carbonyl)oxyacetyl]-1H-pyrrole-3-carboxylate
CID 8967328
6-amino-5-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-1-cyclopropylpyrimidine-2,4-dione
CID 18124463
[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2,4-dimethylbenzoate
CID 7699886
6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 9360297
6-amino-1-cyclopropyl-5-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 9467636
6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 9261805
[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7715360
[2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8966386
6-amino-1-cyclopropyl-5-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 24600717
6-amino-1-cyclopropyl-5-[2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
CID 30908809

Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The IUPAC name of [2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate (CID 9381073) is [2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate is Cc1occc1C(=O)OCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O.
What is the InChIKey of [2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The InChIKey is BIUHKFOYTJCWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6/c1-7-9(4-5-23-7)14(21)24-6-10(19)11-12(16)18(8-2-3-8)15(22)17-13(11)20/h4-5,8H,2-3,6,16H2,1H3,(H,17,20,22).
What are the key properties of [2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate?
[2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate has a molecular weight of 333.30 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 9381073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).