1-[(2R,3S,5R)-3-[(2S)-butan-2-yl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3S,5R)-5-ethyl-4-hydroxy-3-[(2R)-1-methoxypropan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;1-methoxy-2-methylpropane

C46H74N6O16 — CID 159229820

IUPAC1-[(2R,3S,5R)-3-[(2S)-butan-2-yl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3S,5R)-5-ethyl-4-hydroxy-3-[(2R)-1-methoxypropan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;1-methoxy-2-methylpropane
SMILESCC[C@H](C)O[C@H]1C(O)[C@@H](CC)O[C@H]1n1cc(C)c(=O)[nH]c1=O.CC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@@H](O[C@H](C)COC)C1O.CC[C@H]1O[C@@H]2[C@H](Oc3nc(=O)c(C)cn32)C1O.COCC(C)C
InChIInChI=1S/C15H24N2O6.C15H24N2O5.C11H14N2O4.C5H12O/c1-5-10-11(18)12(22-9(3)7-21-4)14(23-10)17-6-8(2)13(19)16-15(17)20;1-5-9(4)21-12-11(18)10(6-2)22-14(12)17-7-8(3)13(19)16-15(17)20;1-3-6-7(14)8-10(16-6)13-4-5(2)9(15)12-11(13)17-8;1-5(2)4-6-3/h6,9-12,14,18H,5,7H2,1-4H3,(H,16,19,20);7,9-12,14,18H,5-6H2,1-4H3,(H,16,19,20);4,6-8,10,14H,3H2,1-2H3;5H,4H2,1-3H3/t9-,10-,11?,12+,14-;9-,10+,11?,12-,14+;6-,7?,8-,10-;/m101./s1
InChIKeyKSTGZXHFMHOCQT-GJMFCPISSA-N
MW967.12 g/mol
LogP1.90
Rot. Bonds14

About 1-[(2R,3S,5R)-3-[(2S)-butan-2-yl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3S,5R)-5-ethyl-4-hydroxy-3-[(2R)-1-methoxypropan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;1-methoxy-2-methylpropane

1-[(2R,3S,5R)-3-[(2S)-butan-2-yl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3S,5R)-5-ethyl-4-hydroxy-3-[(2R)-1-methoxypropan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;1-methoxy-2-methylpropane (PubChem CID 159229820) has the molecular formula C46H74N6O16 and a molecular weight of 967.12 g/mol. Its IUPAC name is 1-[(2R,3S,5R)-3-[(2S)-butan-2-yl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3S,5R)-5-ethyl-4-hydroxy-3-[(2R)-1-methoxypropan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;1-methoxy-2-methylpropane.

Molecular Properties

Compound Name1-[(2R,3S,5R)-3-[(2S)-butan-2-yl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3S,5R)-5-ethyl-4-hydroxy-3-[(2R)-1-methoxypropan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;1-methoxy-2-methylpropane
PubChem CID159229820
Molecular FormulaC46H74N6O16
Molecular Weight967.12 g/mol
Exact Mass966.52
IUPAC Name1-[(2R,3S,5R)-3-[(2S)-butan-2-yl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3S,5R)-5-ethyl-4-hydroxy-3-[(2R)-1-methoxypropan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;1-methoxy-2-methylpropane
SMILESCC[C@H](C)O[C@H]1C(O)[C@@H](CC)O[C@H]1n1cc(C)c(=O)[nH]c1=O.CC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@@H](O[C@H](C)COC)C1O.CC[C@H]1O[C@@H]2[C@H](Oc3nc(=O)c(C)cn32)C1O.COCC(C)C
InChIInChI=1S/C15H24N2O6.C15H24N2O5.C11H14N2O4.C5H12O/c1-5-10-11(18)12(22-9(3)7-21-4)14(23-10)17-6-8(2)13(19)16-15(17)20;1-5-9(4)21-12-11(18)10(6-2)22-14(12)17-7-8(3)13(19)16-15(17)20;1-3-6-7(14)8-10(16-6)13-4-5(2)9(15)12-11(13)17-8;1-5(2)4-6-3/h6,9-12,14,18H,5,7H2,1-4H3,(H,16,19,20);7,9-12,14,18H,5-6H2,1-4H3,(H,16,19,20);4,6-8,10,14H,3H2,1-2H3;5H,4H2,1-3H3/t9-,10-,11?,12+,14-;9-,10+,11?,12-,14+;6-,7?,8-,10-;/m101./s1
InChIKeyKSTGZXHFMHOCQT-GJMFCPISSA-N
XLogP1.90
TPSA279.14 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.12
LogP ≤ 51.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 1-[(2R,3S,5R)-3-[(2S)-butan-2-yl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3S,5R)-5-ethyl-4-hydroxy-3-[(2R)-1-methoxypropan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;1-methoxy-2-methylpropane with MolForge

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Related Compounds

(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;(2S)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;(2R)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;2-hydroxy-N-methylpropanamide;molecular hydrogen
CID 162193619
5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 91296344
1-[(2R,3R,4R,5R)-5-[(1S)-1-deuterioethyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 88880674
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R,3S)-3-methoxybutan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67961716
1-[(2R,3R,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 98008852
1-[3-hydroxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl acetate
CID 123783861
1-[(2R,3R,4R,5R)-3-[2-(dimethylamino)propoxy]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 20679384
1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxypropylperoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 87185138
1-[(2R,3R,4R,5R)-3-(2-ethoxyethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 69253780
1-[5-(aminomethyl)-4-hydroxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 155887099
5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 91284540
1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-3-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 159995307

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5R)-3-[(2S)-butan-2-yl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3S,5R)-5-ethyl-4-hydroxy-3-[(2R)-1-methoxypropan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;1-methoxy-2-methylpropane?
The IUPAC name of 1-[(2R,3S,5R)-3-[(2S)-butan-2-yl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3S,5R)-5-ethyl-4-hydroxy-3-[(2R)-1-methoxypropan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;1-methoxy-2-methylpropane (CID 159229820) is 1-[(2R,3S,5R)-3-[(2S)-butan-2-yl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3S,5R)-5-ethyl-4-hydroxy-3-[(2R)-1-methoxypropan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;1-methoxy-2-methylpropane.
What is the SMILES notation for 1-[(2R,3S,5R)-3-[(2S)-butan-2-yl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3S,5R)-5-ethyl-4-hydroxy-3-[(2R)-1-methoxypropan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;1-methoxy-2-methylpropane?
The canonical SMILES for 1-[(2R,3S,5R)-3-[(2S)-butan-2-yl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3S,5R)-5-ethyl-4-hydroxy-3-[(2R)-1-methoxypropan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;1-methoxy-2-methylpropane is CC[C@H](C)O[C@H]1C(O)[C@@H](CC)O[C@H]1n1cc(C)c(=O)[nH]c1=O.CC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@@H](O[C@H](C)COC)C1O.CC[C@H]1O[C@@H]2[C@H](Oc3nc(=O)c(C)cn32)C1O.COCC(C)C.
What is the InChIKey of 1-[(2R,3S,5R)-3-[(2S)-butan-2-yl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3S,5R)-5-ethyl-4-hydroxy-3-[(2R)-1-methoxypropan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;1-methoxy-2-methylpropane?
The InChIKey is KSTGZXHFMHOCQT-GJMFCPISSA-N. The full InChI is InChI=1S/C15H24N2O6.C15H24N2O5.C11H14N2O4.C5H12O/c1-5-10-11(18)12(22-9(3)7-21-4)14(23-10)17-6-8(2)13(19)16-15(17)20;1-5-9(4)21-12-11(18)10(6-2)22-14(12)17-7-8(3)13(19)16-15(17)20;1-3-6-7(14)8-10(16-6)13-4-5(2)9(15)12-11(13)17-8;1-5(2)4-6-3/h6,9-12,14,18H,5,7H2,1-4H3,(H,16,19,20);7,9-12,14,18H,5-6H2,1-4H3,(H,16,19,20);4,6-8,10,14H,3H2,1-2H3;5H,4H2,1-3H3/t9-,10-,11?,12+,14-;9-,10+,11?,12-,14+;6-,7?,8-,10-;/m101./s1.
What are the key properties of 1-[(2R,3S,5R)-3-[(2S)-butan-2-yl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3S,5R)-5-ethyl-4-hydroxy-3-[(2R)-1-methoxypropan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;1-methoxy-2-methylpropane?
1-[(2R,3S,5R)-3-[(2S)-butan-2-yl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3S,5R)-5-ethyl-4-hydroxy-3-[(2R)-1-methoxypropan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;1-methoxy-2-methylpropane has a molecular weight of 967.12 g/mol, XLogP of 1.90, 14 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,5R)-3-[(2S)-butan-2-yl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3S,5R)-5-ethyl-4-hydroxy-3-[(2R)-1-methoxypropan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;1-methoxy-2-methylpropane is sourced from PubChem (CID 159229820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).