5-hydroxy-2,4-dioxo-N-[1-(3-phenylmethoxyphenyl)ethyl]-1H-pyrimidine-6-carboxamide

C20H19N3O5 — CID 118574871

IUPAC5-hydroxy-2,4-dioxo-N-[1-(3-phenylmethoxyphenyl)ethyl]-1H-pyrimidine-6-carboxamide
SMILESCC(NC(=O)c1[nH]c(=O)[nH]c(=O)c1O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H19N3O5/c1-12(21-18(25)16-17(24)19(26)23-20(27)22-16)14-8-5-9-15(10-14)28-11-13-6-3-2-4-7-13/h2-10,12,24H,11H2,1H3,(H,21,25)(H2,22,23,26,27)
InChIKeyWSHYMQZWTKUPJK-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.84
Rot. Bonds6

About 5-hydroxy-2,4-dioxo-N-[1-(3-phenylmethoxyphenyl)ethyl]-1H-pyrimidine-6-carboxamide

5-hydroxy-2,4-dioxo-N-[1-(3-phenylmethoxyphenyl)ethyl]-1H-pyrimidine-6-carboxamide (PubChem CID 118574871) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 5-hydroxy-2,4-dioxo-N-[1-(3-phenylmethoxyphenyl)ethyl]-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-hydroxy-2,4-dioxo-N-[1-(3-phenylmethoxyphenyl)ethyl]-1H-pyrimidine-6-carboxamide
PubChem CID118574871
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name5-hydroxy-2,4-dioxo-N-[1-(3-phenylmethoxyphenyl)ethyl]-1H-pyrimidine-6-carboxamide
SMILESCC(NC(=O)c1[nH]c(=O)[nH]c(=O)c1O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H19N3O5/c1-12(21-18(25)16-17(24)19(26)23-20(27)22-16)14-8-5-9-15(10-14)28-11-13-6-3-2-4-7-13/h2-10,12,24H,11H2,1H3,(H,21,25)(H2,22,23,26,27)
InChIKeyWSHYMQZWTKUPJK-UHFFFAOYSA-N
XLogP1.84
TPSA124.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
CID 112759831
1-oxo-N-[(1S)-1-(3-phenylmethoxyphenyl)ethyl]-3,4-dihydro-2H-isoquinoline-4-carboxamide
CID 146153166
1-[[(1S)-1-(3-phenylmethoxyphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011906
3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 19465616
N-[(1S)-1-(3-ethoxyphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95977509
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55776871
[(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid
CID 172834538
[(2R)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid
CID 172834539
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
(3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 93331332
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 51123477

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,4-dioxo-N-[1-(3-phenylmethoxyphenyl)ethyl]-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-hydroxy-2,4-dioxo-N-[1-(3-phenylmethoxyphenyl)ethyl]-1H-pyrimidine-6-carboxamide (CID 118574871) is 5-hydroxy-2,4-dioxo-N-[1-(3-phenylmethoxyphenyl)ethyl]-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-hydroxy-2,4-dioxo-N-[1-(3-phenylmethoxyphenyl)ethyl]-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-hydroxy-2,4-dioxo-N-[1-(3-phenylmethoxyphenyl)ethyl]-1H-pyrimidine-6-carboxamide is CC(NC(=O)c1[nH]c(=O)[nH]c(=O)c1O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 5-hydroxy-2,4-dioxo-N-[1-(3-phenylmethoxyphenyl)ethyl]-1H-pyrimidine-6-carboxamide?
The InChIKey is WSHYMQZWTKUPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-12(21-18(25)16-17(24)19(26)23-20(27)22-16)14-8-5-9-15(10-14)28-11-13-6-3-2-4-7-13/h2-10,12,24H,11H2,1H3,(H,21,25)(H2,22,23,26,27).
What are the key properties of 5-hydroxy-2,4-dioxo-N-[1-(3-phenylmethoxyphenyl)ethyl]-1H-pyrimidine-6-carboxamide?
5-hydroxy-2,4-dioxo-N-[1-(3-phenylmethoxyphenyl)ethyl]-1H-pyrimidine-6-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,4-dioxo-N-[1-(3-phenylmethoxyphenyl)ethyl]-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 118574871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).