3-[4-hydroxy-5-(hydroxymethyl)-3-(2-methoxycyclopentyl)oxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one

C16H26N2O6 — CID 90955397

IUPAC3-[4-hydroxy-5-(hydroxymethyl)-3-(2-methoxycyclopentyl)oxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one
SMILESCOC1CCCC1OC1C(O)C(CO)OC1N1C=C(C)C(=O)NC1
InChIInChI=1S/C16H26N2O6/c1-9-6-18(8-17-15(9)21)16-14(13(20)12(7-19)24-16)23-11-5-3-4-10(11)22-2/h6,10-14,16,19-20H,3-5,7-8H2,1-2H3,(H,17,21)
InChIKeyGKYIBWVGHCOYMR-UHFFFAOYSA-N
MW342.39 g/mol
LogP-0.69
Rot. Bonds5

About 3-[4-hydroxy-5-(hydroxymethyl)-3-(2-methoxycyclopentyl)oxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one

3-[4-hydroxy-5-(hydroxymethyl)-3-(2-methoxycyclopentyl)oxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one (PubChem CID 90955397) has the molecular formula C16H26N2O6 and a molecular weight of 342.39 g/mol. Its IUPAC name is 3-[4-hydroxy-5-(hydroxymethyl)-3-(2-methoxycyclopentyl)oxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-[4-hydroxy-5-(hydroxymethyl)-3-(2-methoxycyclopentyl)oxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one
PubChem CID90955397
Molecular FormulaC16H26N2O6
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name3-[4-hydroxy-5-(hydroxymethyl)-3-(2-methoxycyclopentyl)oxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one
SMILESCOC1CCCC1OC1C(O)C(CO)OC1N1C=C(C)C(=O)NC1
InChIInChI=1S/C16H26N2O6/c1-9-6-18(8-17-15(9)21)16-14(13(20)12(7-19)24-16)23-11-5-3-4-10(11)22-2/h6,10-14,16,19-20H,3-5,7-8H2,1-2H3,(H,17,21)
InChIKeyGKYIBWVGHCOYMR-UHFFFAOYSA-N
XLogP-0.69
TPSA100.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[4-hydroxy-5-(hydroxymethyl)-3-(2-methoxycyclopentyl)oxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one with MolForge

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Related Compounds

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(1R,2R)-2-methoxycyclopentyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 118262425
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(1R,2R)-2-methoxycyclopentyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 70853068
3-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2-dihydropyrimidin-6-one
CID 123889381
1-[(2S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxycyclohexyl)oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 69356357
2-hydroxy-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one
CID 21036329
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 162263889
[(1R,2R)-2-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxycyclohexyl]urea
CID 139935837
5-bromo-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 66760234
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]piperazine-2,5-dione
CID 5273526
2-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid
CID 14776496
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazolidin-2-one
CID 46876305
3-[2-(chloromethyl)-1,3-dioxolan-4-yl]-5-methyl-1,2-dihydropyrimidin-6-one
CID 58718637

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-5-(hydroxymethyl)-3-(2-methoxycyclopentyl)oxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one?
The IUPAC name of 3-[4-hydroxy-5-(hydroxymethyl)-3-(2-methoxycyclopentyl)oxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one (CID 90955397) is 3-[4-hydroxy-5-(hydroxymethyl)-3-(2-methoxycyclopentyl)oxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 3-[4-hydroxy-5-(hydroxymethyl)-3-(2-methoxycyclopentyl)oxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 3-[4-hydroxy-5-(hydroxymethyl)-3-(2-methoxycyclopentyl)oxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one is COC1CCCC1OC1C(O)C(CO)OC1N1C=C(C)C(=O)NC1.
What is the InChIKey of 3-[4-hydroxy-5-(hydroxymethyl)-3-(2-methoxycyclopentyl)oxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one?
The InChIKey is GKYIBWVGHCOYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O6/c1-9-6-18(8-17-15(9)21)16-14(13(20)12(7-19)24-16)23-11-5-3-4-10(11)22-2/h6,10-14,16,19-20H,3-5,7-8H2,1-2H3,(H,17,21).
What are the key properties of 3-[4-hydroxy-5-(hydroxymethyl)-3-(2-methoxycyclopentyl)oxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one?
3-[4-hydroxy-5-(hydroxymethyl)-3-(2-methoxycyclopentyl)oxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one has a molecular weight of 342.39 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-5-(hydroxymethyl)-3-(2-methoxycyclopentyl)oxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 90955397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).