6-hydroxy-5-[(1R)-7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl]-1,3-dimethylpyrimidine-2,4-dione

C14H15N3O5 — CID 905913

IUPAC6-hydroxy-5-[(1R)-7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1ncc2c(c1O)[C@H](c1c(O)n(C)c(=O)n(C)c1=O)OC2
InChIInChI=1S/C14H15N3O5/c1-6-10(18)8-7(4-15-6)5-22-11(8)9-12(19)16(2)14(21)17(3)13(9)20/h4,11,18-19H,5H2,1-3H3/t11-/m1/s1
InChIKeyOEQLZXKHRVECND-LLVKDONJSA-N
MW305.29 g/mol
LogP-0.18
Rot. Bonds1

About 6-hydroxy-5-[(1R)-7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl]-1,3-dimethylpyrimidine-2,4-dione

6-hydroxy-5-[(1R)-7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 905913) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is 6-hydroxy-5-[(1R)-7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(1R)-7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID905913
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name6-hydroxy-5-[(1R)-7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1ncc2c(c1O)[C@H](c1c(O)n(C)c(=O)n(C)c1=O)OC2
InChIInChI=1S/C14H15N3O5/c1-6-10(18)8-7(4-15-6)5-22-11(8)9-12(19)16(2)14(21)17(3)13(9)20/h4,11,18-19H,5H2,1-3H3/t11-/m1/s1
InChIKeyOEQLZXKHRVECND-LLVKDONJSA-N
XLogP-0.18
TPSA106.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(1R)-7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(1R)-7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 905913) is 6-hydroxy-5-[(1R)-7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(1R)-7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(1R)-7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is Cc1ncc2c(c1O)[C@H](c1c(O)n(C)c(=O)n(C)c1=O)OC2.
What is the InChIKey of 6-hydroxy-5-[(1R)-7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is OEQLZXKHRVECND-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-6-10(18)8-7(4-15-6)5-22-11(8)9-12(19)16(2)14(21)17(3)13(9)20/h4,11,18-19H,5H2,1-3H3/t11-/m1/s1.
What are the key properties of 6-hydroxy-5-[(1R)-7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
6-hydroxy-5-[(1R)-7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 305.29 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(1R)-7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 905913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).