3-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-8H-pteridine-2,7-dione

C12H14N4O6 — CID 122543363

IUPAC3-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-8H-pteridine-2,7-dione
SMILESCc1nc2cn([C@@H]3O[C@H](CO)[C@H](O)C3O)c(=O)nc2[nH]c1=O
InChIInChI=1S/C12H14N4O6/c1-4-10(20)14-9-5(13-4)2-16(12(21)15-9)11-8(19)7(18)6(3-17)22-11/h2,6-8,11,17-19H,3H2,1H3,(H,14,15,20,21)/t6-,7+,8?,11-/m1/s1
InChIKeyWIMVHDJZYWOJLU-UIRWVKCDSA-N
MW310.27 g/mol
LogP-2.60
Rot. Bonds2

About 3-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-8H-pteridine-2,7-dione

3-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-8H-pteridine-2,7-dione (PubChem CID 122543363) has the molecular formula C12H14N4O6 and a molecular weight of 310.27 g/mol. Its IUPAC name is 3-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-8H-pteridine-2,7-dione.

Molecular Properties

Compound Name3-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-8H-pteridine-2,7-dione
PubChem CID122543363
Molecular FormulaC12H14N4O6
Molecular Weight310.27 g/mol
Exact Mass310.09
IUPAC Name3-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-8H-pteridine-2,7-dione
SMILESCc1nc2cn([C@@H]3O[C@H](CO)[C@H](O)C3O)c(=O)nc2[nH]c1=O
InChIInChI=1S/C12H14N4O6/c1-4-10(20)14-9-5(13-4)2-16(12(21)15-9)11-8(19)7(18)6(3-17)22-11/h2,6-8,11,17-19H,3H2,1H3,(H,14,15,20,21)/t6-,7+,8?,11-/m1/s1
InChIKeyWIMVHDJZYWOJLU-UIRWVKCDSA-N
XLogP-2.60
TPSA150.56 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 5-2.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

3-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione
CID 144823536
3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione
CID 134914469
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione
CID 123855805
3-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione
CID 144823552
3-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 118004808
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-2-sulfanylidene-8H-pteridin-7-one
CID 123186090
6-cyclopropyl-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 132554836
3-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-fluoro-6-methyl-8H-pyrido[2,3-d]pyrimidine-2,5-dione
CID 118004796
3-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-pyrimido[4,5-d]pyrimidine-2,7-dione
CID 118005099
3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione
CID 118005370
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one
CID 123898807
3-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-iodo-8H-pyrido[2,3-d]pyrimidine-2,7-dione
CID 70853210

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-8H-pteridine-2,7-dione?
The IUPAC name of 3-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-8H-pteridine-2,7-dione (CID 122543363) is 3-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-8H-pteridine-2,7-dione.
What is the SMILES notation for 3-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-8H-pteridine-2,7-dione?
The canonical SMILES for 3-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-8H-pteridine-2,7-dione is Cc1nc2cn([C@@H]3O[C@H](CO)[C@H](O)C3O)c(=O)nc2[nH]c1=O.
What is the InChIKey of 3-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-8H-pteridine-2,7-dione?
The InChIKey is WIMVHDJZYWOJLU-UIRWVKCDSA-N. The full InChI is InChI=1S/C12H14N4O6/c1-4-10(20)14-9-5(13-4)2-16(12(21)15-9)11-8(19)7(18)6(3-17)22-11/h2,6-8,11,17-19H,3H2,1H3,(H,14,15,20,21)/t6-,7+,8?,11-/m1/s1.
What are the key properties of 3-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-8H-pteridine-2,7-dione?
3-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-8H-pteridine-2,7-dione has a molecular weight of 310.27 g/mol, XLogP of -2.60, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-8H-pteridine-2,7-dione is sourced from PubChem (CID 122543363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).