1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxo-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide

C24H25N3O7 — CID 174190891

IUPAC1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxo-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCO[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cc(C(=O)NCc2ccc(-c3ccccc3)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H25N3O7/c1-33-20-19(29)18(13-28)34-23(20)27-12-17(22(31)26-24(27)32)21(30)25-11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,12,18-20,23,28-29H,11,13H2,1H3,(H,25,30)(H,26,31,32)/t18-,19+,20-,23-/m1/s1
InChIKeyLPMSOHYJDIXBAR-VLVHOKLOSA-N
MW467.48 g/mol
LogP0.40
Rot. Bonds7

About 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxo-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide

1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxo-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 174190891) has the molecular formula C24H25N3O7 and a molecular weight of 467.48 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxo-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxo-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID174190891
Molecular FormulaC24H25N3O7
Molecular Weight467.48 g/mol
Exact Mass467.17
IUPAC Name1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxo-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCO[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cc(C(=O)NCc2ccc(-c3ccccc3)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H25N3O7/c1-33-20-19(29)18(13-28)34-23(20)27-12-17(22(31)26-24(27)32)21(30)25-11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,12,18-20,23,28-29H,11,13H2,1H3,(H,25,30)(H,26,31,32)/t18-,19+,20-,23-/m1/s1
InChIKeyLPMSOHYJDIXBAR-VLVHOKLOSA-N
XLogP0.40
TPSA142.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxo-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2,4-dioxopyrimidine-5-carboxamide
CID 134227327
[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] hypofluorite
CID 134227330
2-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid
CID 14776496
[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methylurea
CID 150002970
5-bromo-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 66760234
methyl 2-[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetate
CID 118370248
N-[(4-fluorophenyl)methyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide
CID 66988610
N-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-(2-phenylethyl)formamide
CID 175500160
methyl 3-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropanoate
CID 172745372
5-(furan-2-yl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 137346607
1-[(2R,3R,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 98008852
N-benzyl-1-[(2R,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide
CID 170680205

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxo-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxo-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide (CID 174190891) is 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxo-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxo-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxo-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide is CO[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cc(C(=O)NCc2ccc(-c3ccccc3)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxo-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is LPMSOHYJDIXBAR-VLVHOKLOSA-N. The full InChI is InChI=1S/C24H25N3O7/c1-33-20-19(29)18(13-28)34-23(20)27-12-17(22(31)26-24(27)32)21(30)25-11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,12,18-20,23,28-29H,11,13H2,1H3,(H,25,30)(H,26,31,32)/t18-,19+,20-,23-/m1/s1.
What are the key properties of 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxo-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide?
1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxo-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 467.48 g/mol, XLogP of 0.40, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxo-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 174190891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).