4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C17H20N4O4 — CID 97231281

IUPAC4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(N(Cc2ccco2)C[C@H]2CCCO2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C17H20N4O4/c1-19-15(14(9-18)16(22)20(2)17(19)23)21(10-12-5-3-7-24-12)11-13-6-4-8-25-13/h3,5,7,13H,4,6,8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyZPTKUDFVGLTPOK-CYBMUJFWSA-N
MW344.37 g/mol
LogP0.73
Rot. Bonds5

About 4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 97231281) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID97231281
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(N(Cc2ccco2)C[C@H]2CCCO2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C17H20N4O4/c1-19-15(14(9-18)16(22)20(2)17(19)23)21(10-12-5-3-7-24-12)11-13-6-4-8-25-13/h3,5,7,13H,4,6,8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyZPTKUDFVGLTPOK-CYBMUJFWSA-N
XLogP0.73
TPSA93.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 126769853
1,3-dimethyl-2,4-dioxo-6-[2-[(2S)-oxolan-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 31656583
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
N-(furan-2-ylmethyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 47537569
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 1058827
2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile
CID 60585190
2-[acetyl(propyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7271437
1-(1-cyclopentylpiperidin-4-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine
CID 45219091
N,1,3-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrimidine-5-sulfonamide
CID 131931431
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 124880309
2-[cyclopropyl(dimethylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7356779

Frequently Asked Questions

What is the IUPAC name of 4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 97231281) is 4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is Cn1c(N(Cc2ccco2)C[C@H]2CCCO2)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is ZPTKUDFVGLTPOK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-19-15(14(9-18)16(22)20(2)17(19)23)21(10-12-5-3-7-24-12)11-13-6-4-8-25-13/h3,5,7,13H,4,6,8,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 344.37 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 97231281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).