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

C17H28N2O3 — CID 174181793

IUPAC3-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)CC1O[C@@H](n2c(=O)cc[nH]c2=O)C[C@H]1C(C)(C)C
InChIInChI=1S/C17H28N2O3/c1-16(2,3)10-12-11(17(4,5)6)9-14(22-12)19-13(20)7-8-18-15(19)21/h7-8,11-12,14H,9-10H2,1-6H3,(H,18,21)/t11-,12?,14-/m1/s1
InChIKeyOOOCPXFLRKIMFE-YXHCSQSYSA-N
MW308.42 g/mol
LogP2.92
Rot. Bonds2

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

3-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 174181793) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID174181793
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name3-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)CC1O[C@@H](n2c(=O)cc[nH]c2=O)C[C@H]1C(C)(C)C
InChIInChI=1S/C17H28N2O3/c1-16(2,3)10-12-11(17(4,5)6)9-14(22-12)19-13(20)7-8-18-15(19)21/h7-8,11-12,14H,9-10H2,1-6H3,(H,18,21)/t11-,12?,14-/m1/s1
InChIKeyOOOCPXFLRKIMFE-YXHCSQSYSA-N
XLogP2.92
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-[(2R,3S,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 176863812
1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1,3-diazinan-2-one
CID 174181874
1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 174181889
3-[6-(hydroxymethyl)-1,4-dioxan-2-yl]-1H-pyrimidine-2,4-dione
CID 57346157
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
N-benzyl-1-[(2R,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide
CID 170680205
3-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-1H-pyrimidine-2,4-dione
CID 169242921
3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 177077743
3-[(3R,5R)-2-benzyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl]-1H-pyrimidine-2,4-dione
CID 134937707
2-amino-5-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidin-6-one
CID 174181800
3-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione
CID 178052350

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione (CID 174181793) is 3-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione is CC(C)(C)CC1O[C@@H](n2c(=O)cc[nH]c2=O)C[C@H]1C(C)(C)C.
What is the InChIKey of 3-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is OOOCPXFLRKIMFE-YXHCSQSYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-16(2,3)10-12-11(17(4,5)6)9-14(22-12)19-13(20)7-8-18-15(19)21/h7-8,11-12,14H,9-10H2,1-6H3,(H,18,21)/t11-,12?,14-/m1/s1.
What are the key properties of 3-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione?
3-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 308.42 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 174181793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).