1-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylideneamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C12H17N3O4 — CID 122535836

IUPAC1-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylideneamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESC=N[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COC
InChIInChI=1S/C12H17N3O4/c1-7-5-15(12(17)14-11(7)16)10-4-8(13-2)9(19-10)6-18-3/h5,8-10H,2,4,6H2,1,3H3,(H,14,16,17)/t8-,9+,10+/m0/s1
InChIKeyFYRPZHYUCHXIFA-IVZWLZJFSA-N
MW267.28 g/mol
LogP-0.15
Rot. Bonds4

About 1-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylideneamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylideneamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 122535836) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylideneamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylideneamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID122535836
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylideneamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESC=N[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COC
InChIInChI=1S/C12H17N3O4/c1-7-5-15(12(17)14-11(7)16)10-4-8(13-2)9(19-10)6-18-3/h5,8-10H,2,4,6H2,1,3H3,(H,14,16,17)/t8-,9+,10+/m0/s1
InChIKeyFYRPZHYUCHXIFA-IVZWLZJFSA-N
XLogP-0.15
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;mercury
CID 174898498
[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
CID 22263506
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxido-oxophosphanium
CID 10917035
1-[(2S,4S,5S)-4-azido-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 150468637
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;prop-1-ene
CID 67826659
[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylazanium
CID 7272008
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175775727
1-[(2R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6334745

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylideneamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylideneamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 122535836) is 1-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylideneamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylideneamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylideneamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is C=N[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COC.
What is the InChIKey of 1-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylideneamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is FYRPZHYUCHXIFA-IVZWLZJFSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7-5-15(12(17)14-11(7)16)10-4-8(13-2)9(19-10)6-18-3/h5,8-10H,2,4,6H2,1,3H3,(H,14,16,17)/t8-,9+,10+/m0/s1.
What are the key properties of 1-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylideneamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylideneamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 267.28 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylideneamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 122535836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).