1-[3-chloro-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione

C11H15ClN2O4 — CID 123500574

IUPAC1-[3-chloro-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESCOCC1CC(C)(Cl)C(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C11H15ClN2O4/c1-11(12)5-7(6-17-2)18-9(11)14-4-3-8(15)13-10(14)16/h3-4,7,9H,5-6H2,1-2H3,(H,13,15,16)
InChIKeyNXKGTCSMHCRCEN-UHFFFAOYSA-N
MW274.70 g/mol
LogP0.47
Rot. Bonds3

About 1-[3-chloro-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione

1-[3-chloro-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 123500574) has the molecular formula C11H15ClN2O4 and a molecular weight of 274.70 g/mol. Its IUPAC name is 1-[3-chloro-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-chloro-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
PubChem CID123500574
Molecular FormulaC11H15ClN2O4
Molecular Weight274.70 g/mol
Exact Mass274.07
IUPAC Name1-[3-chloro-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESCOCC1CC(C)(Cl)C(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C11H15ClN2O4/c1-11(12)5-7(6-17-2)18-9(11)14-4-3-8(15)13-10(14)16/h3-4,7,9H,5-6H2,1-2H3,(H,13,15,16)
InChIKeyNXKGTCSMHCRCEN-UHFFFAOYSA-N
XLogP0.47
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methanol;1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 145071309
1-[(2R,3R,5S)-3-fluoro-3-methyl-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118327336
1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 145071280
propan-2-yl (2S)-2-[[[(2S,4R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 145330845
1-[(2R,5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
CID 134259432
1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 123691114
1-[(2R,3R,5R)-3-chloro-5-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 137380939
1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 23261037
1-[(2S,5S)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57303965
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 68666642
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
1-[(5R)-8-(hydroxymethyl)-1,7-dioxaspiro[4.4]nonan-6-yl]pyrimidine-2,4-dione
CID 137401311

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-chloro-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione (CID 123500574) is 1-[3-chloro-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-chloro-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-chloro-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione is COCC1CC(C)(Cl)C(n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of 1-[3-chloro-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is NXKGTCSMHCRCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4/c1-11(12)5-7(6-17-2)18-9(11)14-4-3-8(15)13-10(14)16/h3-4,7,9H,5-6H2,1-2H3,(H,13,15,16).
What are the key properties of 1-[3-chloro-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
1-[3-chloro-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 274.70 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 123500574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).