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

C23H24N4O5 — CID 71462565

IUPAC1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(4-phenylphenyl)urea
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(-c4ccccc4)cc3)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)25-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,13,18-20,28H,11-12H2,1H3,(H2,24,25,30)(H,26,29,31)/t18-,19+,20+/m0/s1
InChIKeyBLBVGMYVVQPIBE-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-(4-phenylphenyl)urea

1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(4-phenylphenyl)urea (PubChem CID 71462565) 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-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(4-phenylphenyl)urea
PubChem CID71462565
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-(4-phenylphenyl)urea
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(-c4ccccc4)cc3)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)25-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,13,18-20,28H,11-12H2,1H3,(H2,24,25,30)(H,26,29,31)/t18-,19+,20+/m0/s1
InChIKeyBLBVGMYVVQPIBE-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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Related Compounds

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CID 5275942
1-{4-Hydroxy-5-[(trityl-amino)-methyl]-tetrahydro-furan-2-yl}-1H-pyrimidine-2,4-dione
CID 44403852
1-[[(2r,3s,5s)-5-[5-Methyl-2,4-Bis(Oxidanylidene)pyrimidin-1-Yl]-3-Oxidanyl-Oxolan-2-Yl]methyl]-3-(4-Nitrophenyl)urea
CID 71462564
1-[(2S)-2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-[(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]ethyl]-3-(4-cyclohexylphenyl)urea
CID 44273166
1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]-3-[4-(1-piperidyl)phenyl]urea
CID 71460860
1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]-3-(4-phenylphenyl)urea
CID 71460861
N-[[4-(dimethylamino)phenyl]methyl]-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanamide
CID 46903766
1-benzhydryl-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]thiourea
CID 23634745
1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]-3-(p-tolyl)thiourea
CID 23636104
1-[(2R,4S,5R)-4-hydroxy-5-[[[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 46903747

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-(4-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-(4-phenylphenyl)urea (CID 71462565) is 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(4-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-(4-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-(4-phenylphenyl)urea is Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(-c4ccccc4)cc3)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-(4-phenylphenyl)urea?
The InChIKey is BLBVGMYVVQPIBE-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)25-17-9-7-16(8-10-17)15-5-3-2-4-6-15/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-(4-phenylphenyl)urea?
1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(4-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-(4-phenylphenyl)urea is sourced from PubChem (CID 71462565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).