1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide

C19H31N3O4 — CID 174181889

IUPAC1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCNC(=O)c1cn([C@H]2C[C@@H](C(C)(C)C)C(CC(C)(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C19H31N3O4/c1-18(2,3)9-13-12(19(4,5)6)8-14(26-13)22-10-11(15(23)20-7)16(24)21-17(22)25/h10,12-14H,8-9H2,1-7H3,(H,20,23)(H,21,24,25)/t12-,13?,14-/m1/s1
InChIKeyWUAGSANVXUYVDJ-WYAMFQBQSA-N
MW365.47 g/mol
LogP2.28
Rot. Bonds3

About 1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide

1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 174181889) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is 1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID174181889
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Name1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCNC(=O)c1cn([C@H]2C[C@@H](C(C)(C)C)C(CC(C)(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C19H31N3O4/c1-18(2,3)9-13-12(19(4,5)6)8-14(26-13)22-10-11(15(23)20-7)16(24)21-17(22)25/h10,12-14H,8-9H2,1-7H3,(H,20,23)(H,21,24,25)/t12-,13?,14-/m1/s1
InChIKeyWUAGSANVXUYVDJ-WYAMFQBQSA-N
XLogP2.28
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-[(2R,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide
CID 170680205
N-[(4-fluorophenyl)methyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide
CID 66988610
[(2S,5R)-3-tert-butyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethynylphosphinic acid
CID 146869382
[(2R,3R,5R)-2-(hydroxymethyl)-4-methyl-5-[5-(methylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] acetate
CID 58508393
5-(1-bromoethenyl)-1-[(2R,5S)-5-(bromomethyl)-4-chlorooxolan-2-yl]pyrimidine-2,4-dione
CID 87475387
[(2R,3S,5R)-3-hydroxy-5-[5-(2-methylpropylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
CID 137350080
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-methylprop-2-enoyl)pyrimidine-2,4-dione
CID 67939748
1-[(2R,4S,5R)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide
CID 121217563
1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1,3-diazinan-2-one
CID 174181874
N-(6-aminohexyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide
CID 123895707
3-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 174181793
1-[4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 162821765

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 174181889) is 1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide is CNC(=O)c1cn([C@H]2C[C@@H](C(C)(C)C)C(CC(C)(C)C)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is WUAGSANVXUYVDJ-WYAMFQBQSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-18(2,3)9-13-12(19(4,5)6)8-14(26-13)22-10-11(15(23)20-7)16(24)21-17(22)25/h10,12-14H,8-9H2,1-7H3,(H,20,23)(H,21,24,25)/t12-,13?,14-/m1/s1.
What are the key properties of 1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide?
1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 365.47 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 174181889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).