[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate

C19H28N2O6 — CID 172580603

IUPAC[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate
SMILESCC(C)OC1(C(=O)OCC2CCC(n3ccc(=O)[nH]c3=O)O2)CCCCC1
InChIInChI=1S/C19H28N2O6/c1-13(2)27-19(9-4-3-5-10-19)17(23)25-12-14-6-7-16(26-14)21-11-8-15(22)20-18(21)24/h8,11,13-14,16H,3-7,9-10,12H2,1-2H3,(H,20,22,24)
InChIKeyICDZXFIKAOWHJC-UHFFFAOYSA-N
MW380.44 g/mol
LogP1.89
Rot. Bonds6

About [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate

[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate (PubChem CID 172580603) has the molecular formula C19H28N2O6 and a molecular weight of 380.44 g/mol. Its IUPAC name is [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate
PubChem CID172580603
Molecular FormulaC19H28N2O6
Molecular Weight380.44 g/mol
Exact Mass380.19
IUPAC Name[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate
SMILESCC(C)OC1(C(=O)OCC2CCC(n3ccc(=O)[nH]c3=O)O2)CCCCC1
InChIInChI=1S/C19H28N2O6/c1-13(2)27-19(9-4-3-5-10-19)17(23)25-12-14-6-7-16(26-14)21-11-8-15(22)20-18(21)24/h8,11,13-14,16H,3-7,9-10,12H2,1-2H3,(H,20,22,24)
InChIKeyICDZXFIKAOWHJC-UHFFFAOYSA-N
XLogP1.89
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate with MolForge

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Related Compounds

methanol;1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 145071309
[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium
CID 172580649
[4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] 2-methyloxolane-2-carboxylate;[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl cyclohexanecarboxylate;[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-methylcyclohexane-1-carboxylate
CID 172580515
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70849208
[4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] 1-propan-2-yloxycyclopentane-1-carboxylate
CID 172580602
1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082493
propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphanyl]amino]propanoate
CID 144948788
1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 23261037
(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 23268762
[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl 2-methyloxolane-2-carboxylate
CID 172580557
1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 170586971

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate?
The IUPAC name of [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate (CID 172580603) is [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate.
What is the SMILES notation for [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate?
The canonical SMILES for [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate is CC(C)OC1(C(=O)OCC2CCC(n3ccc(=O)[nH]c3=O)O2)CCCCC1.
What is the InChIKey of [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate?
The InChIKey is ICDZXFIKAOWHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O6/c1-13(2)27-19(9-4-3-5-10-19)17(23)25-12-14-6-7-16(26-14)21-11-8-15(22)20-18(21)24/h8,11,13-14,16H,3-7,9-10,12H2,1-2H3,(H,20,22,24).
What are the key properties of [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate?
[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate is sourced from PubChem (CID 172580603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).