N-[1-[6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide

C18H20FN3O4 — CID 58060700

IUPACN-[1-[6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
SMILES[2H]CC1OCC(n2cc(C)c(NC(=O)c3ccccc3)nc2=O)C(F)C1O
InChIInChI=1S/C18H20FN3O4/c1-10-8-22(13-9-26-11(2)15(23)14(13)19)18(25)21-16(10)20-17(24)12-6-4-3-5-7-12/h3-8,11,13-15,23H,9H2,1-2H3,(H,20,21,24,25)/i2D
InChIKeyIRHNPCSUQVVFRM-VMNATFBRSA-N
MW362.38 g/mol
LogP1.46
Rot. Bonds4

About N-[1-[6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide

N-[1-[6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide (PubChem CID 58060700) has the molecular formula C18H20FN3O4 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[1-[6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
PubChem CID58060700
Molecular FormulaC18H20FN3O4
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC NameN-[1-[6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
SMILES[2H]CC1OCC(n2cc(C)c(NC(=O)c3ccccc3)nc2=O)C(F)C1O
InChIInChI=1S/C18H20FN3O4/c1-10-8-22(13-9-26-11(2)15(23)14(13)19)18(25)21-16(10)20-17(24)12-6-4-3-5-7-12/h3-8,11,13-15,23H,9H2,1-2H3,(H,20,21,24,25)/i2D
InChIKeyIRHNPCSUQVVFRM-VMNATFBRSA-N
XLogP1.46
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3R,4S,5R,6R)-6-(deuteriomethyl)-4-(2-fluoroethoxy)-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 58062017
N-[1-[6-(deuteriomethyl)-4-fluoro-5-methyloxan-3-yl]-2-oxopyrimidin-4-yl]benzamide
CID 58060772
N-[1-[(1R,3R,4R,5S,7S)-7-hydroxy-1-(hydroxymethyl)-5-methyl-2-oxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 53342627
N-[1-[(1S,3R,4R,6R,7S)-1-(deuteriomethyl)-7-hydroxy-5,6-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 140608132
N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 11331209
(1S,3R,4R,7S)-3-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-1-ethyl-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide
CID 163429376
N-[1-[(1R,3R,4S)-1-(deuteriomethyl)-7-[[di(propan-2-yl)amino]-methylphosphanyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 88935647
[2-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-5-methyloxan-4-yl] benzoate;[2-(4-benzamido-2-oxopyrimidin-1-yl)-4,5-dihydroxyoxan-3-yl] benzoate;methane;N-[2-oxo-1-(3,4,5-trihydroxyoxan-2-yl)pyrimidin-4-yl]benzamide
CID 161365836
N-[1-[(2R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 10077037
N-[1-[1-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 85419277
N-[1-[(2R,3S,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 126969888
N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 11844063

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide?
The IUPAC name of N-[1-[6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide (CID 58060700) is N-[1-[6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide?
The canonical SMILES for N-[1-[6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide is [2H]CC1OCC(n2cc(C)c(NC(=O)c3ccccc3)nc2=O)C(F)C1O.
What is the InChIKey of N-[1-[6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide?
The InChIKey is IRHNPCSUQVVFRM-VMNATFBRSA-N. The full InChI is InChI=1S/C18H20FN3O4/c1-10-8-22(13-9-26-11(2)15(23)14(13)19)18(25)21-16(10)20-17(24)12-6-4-3-5-7-12/h3-8,11,13-15,23H,9H2,1-2H3,(H,20,21,24,25)/i2D.
What are the key properties of N-[1-[6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide?
N-[1-[6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 362.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 58060700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).