1-beta-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione

C10H14N2O6 — CID 65049

IUPAC1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChIInChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
InChIKeyDWRXFEITVBNRMK-JAGXHNFQSA-N
MW258.23 g/mol
LogP-1.60
Rot. Bonds2

About 1-beta-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione

1-beta-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione (PubChem CID 65049) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-beta-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione
PubChem CID65049
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Name1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChIInChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
InChIKeyDWRXFEITVBNRMK-JAGXHNFQSA-N
XLogP-1.60
TPSA119.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity409

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Thymidine
CID 5789
Uridine
CID 6029
Zidovudine
CID 35370
Floxuridine
CID 5790
Idoxuridine
CID 5905
5-Bromo-2'-deoxyuridine
CID 6035
Deoxyuridine
CID 13712
Brivudine
CID 446727
Trifluridine
CID 6256
Telbivudine
CID 159269
5'-Thymidylic acid
CID 9700
dTTP
CID 64968

Frequently Asked Questions

What is the IUPAC name of 1-beta-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione?
The IUPAC name of 1-beta-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione (CID 65049) is 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-beta-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione?
The canonical SMILES for 1-beta-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione is CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O.
What is the InChIKey of 1-beta-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione?
The InChIKey is DWRXFEITVBNRMK-JAGXHNFQSA-N. The full InChI is InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1.
What are the key properties of 1-beta-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione?
1-beta-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione has a molecular weight of 258.23 g/mol, XLogP of -1.60, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-beta-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione is sourced from PubChem (CID 65049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).