1-[5-(hydroxymethyl)-4-methoxy-3,3-dimethyloxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione

C15H22N2O5 — CID 59878086

IUPAC1-[5-(hydroxymethyl)-4-methoxy-3,3-dimethyloxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
SMILESC/C=C/c1cn(C2OC(CO)C(OC)C2(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H22N2O5/c1-5-6-9-7-17(14(20)16-12(9)19)13-15(2,3)11(21-4)10(8-18)22-13/h5-7,10-11,13,18H,8H2,1-4H3,(H,16,19,20)/b6-5+
InChIKeyORAONHWDGPGSKI-AATRIKPKSA-N
MW310.35 g/mol
LogP0.50
Rot. Bonds4

About 1-[5-(hydroxymethyl)-4-methoxy-3,3-dimethyloxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione

1-[5-(hydroxymethyl)-4-methoxy-3,3-dimethyloxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione (PubChem CID 59878086) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)-4-methoxy-3,3-dimethyloxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)-4-methoxy-3,3-dimethyloxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
PubChem CID59878086
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name1-[5-(hydroxymethyl)-4-methoxy-3,3-dimethyloxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
SMILESC/C=C/c1cn(C2OC(CO)C(OC)C2(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H22N2O5/c1-5-6-9-7-17(14(20)16-12(9)19)13-15(2,3)11(21-4)10(8-18)22-13/h5-7,10-11,13,18H,8H2,1-4H3,(H,16,19,20)/b6-5+
InChIKeyORAONHWDGPGSKI-AATRIKPKSA-N
XLogP0.50
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(hydroxymethyl)-4-methoxy-3,3-dimethyloxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 59878083
[5-[2,4-dioxo-5-[(E)-prop-1-enyl]pyrimidin-1-yl]-2-(hydroxymethyl)-4,4-dimethyloxolan-3-yl] 1-methyl-4H-pyridine-3-carboxylate
CID 59878090
1-[(2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
CID 70951619
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
CID 102462626
methyl 3-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enoate
CID 123526978
methyl 3-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enoate
CID 71438737
1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 91153756
methyl (E)-3-[1-[(2R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enoate
CID 68501040
ethyl (E)-3-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enoate
CID 13391740
3-[1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enoic acid
CID 67460675
(E)-3-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enoic acid
CID 13205980
[5-[2,4-dioxo-5-[(E)-prop-1-enyl]pyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] methyl pentyl phosphate
CID 163990096

Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)-4-methoxy-3,3-dimethyloxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[5-(hydroxymethyl)-4-methoxy-3,3-dimethyloxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione (CID 59878086) is 1-[5-(hydroxymethyl)-4-methoxy-3,3-dimethyloxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[5-(hydroxymethyl)-4-methoxy-3,3-dimethyloxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[5-(hydroxymethyl)-4-methoxy-3,3-dimethyloxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione is C/C=C/c1cn(C2OC(CO)C(OC)C2(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 1-[5-(hydroxymethyl)-4-methoxy-3,3-dimethyloxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione?
The InChIKey is ORAONHWDGPGSKI-AATRIKPKSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-5-6-9-7-17(14(20)16-12(9)19)13-15(2,3)11(21-4)10(8-18)22-13/h5-7,10-11,13,18H,8H2,1-4H3,(H,16,19,20)/b6-5+.
What are the key properties of 1-[5-(hydroxymethyl)-4-methoxy-3,3-dimethyloxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione?
1-[5-(hydroxymethyl)-4-methoxy-3,3-dimethyloxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione has a molecular weight of 310.35 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)-4-methoxy-3,3-dimethyloxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 59878086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).