1-[(1R,3S,4R)-3-methoxy-4-(methoxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione

C13H20N2O4 — CID 122493318

IUPAC1-[(1R,3S,4R)-3-methoxy-4-(methoxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
SMILESCOC[C@H]1C[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1OC
InChIInChI=1S/C13H20N2O4/c1-8-6-15(13(17)14-12(8)16)10-4-9(7-18-2)11(5-10)19-3/h6,9-11H,4-5,7H2,1-3H3,(H,14,16,17)/t9-,10-,11+/m1/s1
InChIKeyYMBQJGYBLNYQPW-MXWKQRLJSA-N
MW268.31 g/mol
LogP0.46
Rot. Bonds4

About 1-[(1R,3S,4R)-3-methoxy-4-(methoxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione

1-[(1R,3S,4R)-3-methoxy-4-(methoxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione (PubChem CID 122493318) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-[(1R,3S,4R)-3-methoxy-4-(methoxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R,3S,4R)-3-methoxy-4-(methoxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
PubChem CID122493318
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-[(1R,3S,4R)-3-methoxy-4-(methoxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
SMILESCOC[C@H]1C[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1OC
InChIInChI=1S/C13H20N2O4/c1-8-6-15(13(17)14-12(8)16)10-4-9(7-18-2)11(5-10)19-3/h6,9-11H,4-5,7H2,1-3H3,(H,14,16,17)/t9-,10-,11+/m1/s1
InChIKeyYMBQJGYBLNYQPW-MXWKQRLJSA-N
XLogP0.46
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(1R,3S,4R)-3-methoxy-4-(methoxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097531
1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097532
1-[(1R,4R)-3-(18F)fluoro-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 158344832
1-[(1S,3R)-3-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
CID 10443092
[(1R,2S,4S)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] benzoate
CID 101119425
1-[(4S,5R)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 68952088
1-[(2S,4R,5S)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90702057
1-[(2R,4S,5R)-4-methoxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 142489157
1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59957186
1-[(3S,5R)-5-hydroxypiperidin-3-yl]-5-methylpyrimidine-2,4-dione
CID 51050699
1-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylideneamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 122535836
[(1R,2S,4R)-2-acetyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate
CID 10991361

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S,4R)-3-methoxy-4-(methoxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(1R,3S,4R)-3-methoxy-4-(methoxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione (CID 122493318) is 1-[(1R,3S,4R)-3-methoxy-4-(methoxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R,3S,4R)-3-methoxy-4-(methoxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R,3S,4R)-3-methoxy-4-(methoxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione is COC[C@H]1C[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1OC.
What is the InChIKey of 1-[(1R,3S,4R)-3-methoxy-4-(methoxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is YMBQJGYBLNYQPW-MXWKQRLJSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-8-6-15(13(17)14-12(8)16)10-4-9(7-18-2)11(5-10)19-3/h6,9-11H,4-5,7H2,1-3H3,(H,14,16,17)/t9-,10-,11+/m1/s1.
What are the key properties of 1-[(1R,3S,4R)-3-methoxy-4-(methoxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
1-[(1R,3S,4R)-3-methoxy-4-(methoxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 268.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S,4R)-3-methoxy-4-(methoxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 122493318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).