3-[(2R,3S,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione

C18H30N2O4 — CID 176863812

IUPAC3-[(2R,3S,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILESCO[C@H]1C(C(C)(C)C)[C@@H](CC(C)(C)C)O[C@H]1n1c(=O)cc[nH]c1=O
InChIInChI=1S/C18H30N2O4/c1-17(2,3)10-11-13(18(4,5)6)14(23-7)15(24-11)20-12(21)8-9-19-16(20)22/h8-9,11,13-15H,10H2,1-7H3,(H,19,22)/t11-,13?,14+,15-/m1/s1
InChIKeyGOFWSDIVPVLREJ-HYIGYNPQSA-N
MW338.45 g/mol
LogP2.55
Rot. Bonds3

About 3-[(2R,3S,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione

3-[(2R,3S,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 176863812) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[(2R,3S,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2R,3S,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID176863812
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name3-[(2R,3S,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILESCO[C@H]1C(C(C)(C)C)[C@@H](CC(C)(C)C)O[C@H]1n1c(=O)cc[nH]c1=O
InChIInChI=1S/C18H30N2O4/c1-17(2,3)10-11-13(18(4,5)6)14(23-7)15(24-11)20-12(21)8-9-19-16(20)22/h8-9,11,13-15H,10H2,1-7H3,(H,19,22)/t11-,13?,14+,15-/m1/s1
InChIKeyGOFWSDIVPVLREJ-HYIGYNPQSA-N
XLogP2.55
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 174181793
3-[(2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 177125435
3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 131876298
3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 177077743
3-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 169242708
[(2R,3R,4S,5R)-3-benzoyloxy-5-(2,4-dioxo-1H-pyrimidin-3-yl)-4-fluorooxolan-2-yl]methyl benzoate
CID 169242858
3-[6-(hydroxymethyl)-1,4-dioxan-2-yl]-1H-pyrimidine-2,4-dione
CID 57346157
4-amino-1-[4-tert-butyl-5-(2,2-dimethylpropyl)-3-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 174181688
3-[(2R,3S,5S)-3-hydroxy-5-[[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxymethyl]oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 170585198
1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465347
1-[(2R,3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 15333745
1-[(2S,4R,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465356

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3S,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[(2R,3S,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione (CID 176863812) is 3-[(2R,3S,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2R,3S,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[(2R,3S,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione is CO[C@H]1C(C(C)(C)C)[C@@H](CC(C)(C)C)O[C@H]1n1c(=O)cc[nH]c1=O.
What is the InChIKey of 3-[(2R,3S,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is GOFWSDIVPVLREJ-HYIGYNPQSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-17(2,3)10-11-13(18(4,5)6)14(23-7)15(24-11)20-12(21)8-9-19-16(20)22/h8-9,11,13-15H,10H2,1-7H3,(H,19,22)/t11-,13?,14+,15-/m1/s1.
What are the key properties of 3-[(2R,3S,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione?
3-[(2R,3S,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 338.45 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 176863812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).