1-[(4R)-4-(aminomethoxy)-5-(2-methoxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C13H21N3O5 — CID 170393529

IUPAC1-[(4R)-4-(aminomethoxy)-5-(2-methoxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCOCCC1OC(n2cc(C)c(=O)[nH]c2=O)C[C@H]1OCN
InChIInChI=1S/C13H21N3O5/c1-8-6-16(13(18)15-12(8)17)11-5-10(20-7-14)9(21-11)3-4-19-2/h6,9-11H,3-5,7,14H2,1-2H3,(H,15,17,18)/t9?,10-,11?/m1/s1
InChIKeySWRWQPUQSJCKJU-HSOILSAZSA-N
MW299.33 g/mol
LogP-0.53
Rot. Bonds6

About 1-[(4R)-4-(aminomethoxy)-5-(2-methoxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(4R)-4-(aminomethoxy)-5-(2-methoxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 170393529) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[(4R)-4-(aminomethoxy)-5-(2-methoxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4R)-4-(aminomethoxy)-5-(2-methoxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID170393529
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name1-[(4R)-4-(aminomethoxy)-5-(2-methoxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCOCCC1OC(n2cc(C)c(=O)[nH]c2=O)C[C@H]1OCN
InChIInChI=1S/C13H21N3O5/c1-8-6-16(13(18)15-12(8)17)11-5-10(20-7-14)9(21-11)3-4-19-2/h6,9-11H,3-5,7,14H2,1-2H3,(H,15,17,18)/t9?,10-,11?/m1/s1
InChIKeySWRWQPUQSJCKJU-HSOILSAZSA-N
XLogP-0.53
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,4S,5R)-5-(hydroxymethyl)-4-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175775727
1-[(2S,4S,5S)-4-(3-fluoropropoxy)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 25032417
1-[(2S,4R,5S)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90702057
1-[(4S,5R)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 68952088
1-[(2R,4S,5S)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7272011
[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate
CID 5463
[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate
CID 58834055
1-[(2R,4S,5R)-4-hydroxy-5-[[(2R,3S,5R)-2-[[(2R,3S,5R)-2-[[(2R,3S,5R)-2-[[(2R,3S,5R)-2-[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 100978051
1-[(2R,5R)-5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 58059985
3-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxypropanenitrile
CID 69164526
13-[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxytridecyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
CID 102303042
1-[(2R,4S,5R)-4-methoxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 142489157

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(aminomethoxy)-5-(2-methoxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(4R)-4-(aminomethoxy)-5-(2-methoxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 170393529) is 1-[(4R)-4-(aminomethoxy)-5-(2-methoxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4R)-4-(aminomethoxy)-5-(2-methoxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(4R)-4-(aminomethoxy)-5-(2-methoxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is COCCC1OC(n2cc(C)c(=O)[nH]c2=O)C[C@H]1OCN.
What is the InChIKey of 1-[(4R)-4-(aminomethoxy)-5-(2-methoxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is SWRWQPUQSJCKJU-HSOILSAZSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-8-6-16(13(18)15-12(8)17)11-5-10(20-7-14)9(21-11)3-4-19-2/h6,9-11H,3-5,7,14H2,1-2H3,(H,15,17,18)/t9?,10-,11?/m1/s1.
What are the key properties of 1-[(4R)-4-(aminomethoxy)-5-(2-methoxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(4R)-4-(aminomethoxy)-5-(2-methoxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 299.33 g/mol, XLogP of -0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(aminomethoxy)-5-(2-methoxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 170393529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).