1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea

C23H24N4O5 — CID 71462566

IUPAC1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccccc3-c3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C23H24N4O5/c1-14-13-27(23(31)26-21(14)29)20-11-18(28)19(32-20)12-24-22(30)25-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,13,18-20,28H,11-12H2,1H3,(H2,24,25,30)(H,26,29,31)/t18-,19+,20+/m0/s1
InChIKeyZJWGTKNGOCZVPK-XUVXKRRUSA-N
MW436.47 g/mol
LogP1.98
Rot. Bonds5

About 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea

1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea (PubChem CID 71462566) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea.

Molecular Properties

Compound Name1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea
PubChem CID71462566
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccccc3-c3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C23H24N4O5/c1-14-13-27(23(31)26-21(14)29)20-11-18(28)19(32-20)12-24-22(30)25-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,13,18-20,28H,11-12H2,1H3,(H2,24,25,30)(H,26,29,31)/t18-,19+,20+/m0/s1
InChIKeyZJWGTKNGOCZVPK-XUVXKRRUSA-N
XLogP1.98
TPSA125.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea?
The IUPAC name of 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea (CID 71462566) is 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea.
What is the SMILES notation for 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea?
The canonical SMILES for 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea is Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccccc3-c3ccccc3)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea?
The InChIKey is ZJWGTKNGOCZVPK-XUVXKRRUSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-14-13-27(23(31)26-21(14)29)20-11-18(28)19(32-20)12-24-22(30)25-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,13,18-20,28H,11-12H2,1H3,(H2,24,25,30)(H,26,29,31)/t18-,19+,20+/m0/s1.
What are the key properties of 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea?
1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea has a molecular weight of 436.47 g/mol, XLogP of 1.98, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea is sourced from PubChem (CID 71462566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).