1-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-5-[(1-phenyltriazol-4-yl)methyl]pyrimidine-2,4-dione

C18H17N5O6 — CID 144823767

IUPAC1-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-5-[(1-phenyltriazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@@H]2OC(CO)=C(O)C2O)cc1Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C18H17N5O6/c24-9-13-14(25)15(26)17(29-13)22-7-10(16(27)19-18(22)28)6-11-8-23(21-20-11)12-4-2-1-3-5-12/h1-5,7-8,15,17,24-26H,6,9H2,(H,19,27,28)/t15?,17-/m1/s1
InChIKeyAFYOJJATHWGWMY-OMOCHNIRSA-N
MW399.36 g/mol
LogP-0.64
Rot. Bonds5

About 1-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-5-[(1-phenyltriazol-4-yl)methyl]pyrimidine-2,4-dione

1-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-5-[(1-phenyltriazol-4-yl)methyl]pyrimidine-2,4-dione (PubChem CID 144823767) has the molecular formula C18H17N5O6 and a molecular weight of 399.36 g/mol. Its IUPAC name is 1-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-5-[(1-phenyltriazol-4-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-5-[(1-phenyltriazol-4-yl)methyl]pyrimidine-2,4-dione
PubChem CID144823767
Molecular FormulaC18H17N5O6
Molecular Weight399.36 g/mol
Exact Mass399.12
IUPAC Name1-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-5-[(1-phenyltriazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@@H]2OC(CO)=C(O)C2O)cc1Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C18H17N5O6/c24-9-13-14(25)15(26)17(29-13)22-7-10(16(27)19-18(22)28)6-11-8-23(21-20-11)12-4-2-1-3-5-12/h1-5,7-8,15,17,24-26H,6,9H2,(H,19,27,28)/t15?,17-/m1/s1
InChIKeyAFYOJJATHWGWMY-OMOCHNIRSA-N
XLogP-0.64
TPSA155.49 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-5-[(1-phenyltriazol-4-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-5-[(1-phenyltriazol-4-yl)methyl]pyrimidine-2,4-dione (CID 144823767) is 1-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-5-[(1-phenyltriazol-4-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-5-[(1-phenyltriazol-4-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-5-[(1-phenyltriazol-4-yl)methyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n([C@@H]2OC(CO)=C(O)C2O)cc1Cc1cn(-c2ccccc2)nn1.
What is the InChIKey of 1-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-5-[(1-phenyltriazol-4-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is AFYOJJATHWGWMY-OMOCHNIRSA-N. The full InChI is InChI=1S/C18H17N5O6/c24-9-13-14(25)15(26)17(29-13)22-7-10(16(27)19-18(22)28)6-11-8-23(21-20-11)12-4-2-1-3-5-12/h1-5,7-8,15,17,24-26H,6,9H2,(H,19,27,28)/t15?,17-/m1/s1.
What are the key properties of 1-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-5-[(1-phenyltriazol-4-yl)methyl]pyrimidine-2,4-dione?
1-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-5-[(1-phenyltriazol-4-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 399.36 g/mol, XLogP of -0.64, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-5-[(1-phenyltriazol-4-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 144823767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).