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

C18H20FN3O3 — CID 58060772

IUPACN-[1-[6-(deuteriomethyl)-4-fluoro-5-methyloxan-3-yl]-2-oxopyrimidin-4-yl]benzamide
SMILES[2H]CC1OCC(n2ccc(NC(=O)c3ccccc3)nc2=O)C(F)C1C
InChIInChI=1S/C18H20FN3O3/c1-11-12(2)25-10-14(16(11)19)22-9-8-15(21-18(22)24)20-17(23)13-6-4-3-5-7-13/h3-9,11-12,14,16H,10H2,1-2H3,(H,20,21,23,24)/i2D
InChIKeyMPCBZTZKXQCYAX-VMNATFBRSA-N
MW346.38 g/mol
LogP2.43
Rot. Bonds4

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

N-[1-[6-(deuteriomethyl)-4-fluoro-5-methyloxan-3-yl]-2-oxopyrimidin-4-yl]benzamide (PubChem CID 58060772) has the molecular formula C18H20FN3O3 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[1-[6-(deuteriomethyl)-4-fluoro-5-methyloxan-3-yl]-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[6-(deuteriomethyl)-4-fluoro-5-methyloxan-3-yl]-2-oxopyrimidin-4-yl]benzamide
PubChem CID58060772
Molecular FormulaC18H20FN3O3
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC NameN-[1-[6-(deuteriomethyl)-4-fluoro-5-methyloxan-3-yl]-2-oxopyrimidin-4-yl]benzamide
SMILES[2H]CC1OCC(n2ccc(NC(=O)c3ccccc3)nc2=O)C(F)C1C
InChIInChI=1S/C18H20FN3O3/c1-11-12(2)25-10-14(16(11)19)22-9-8-15(21-18(22)24)20-17(23)13-6-4-3-5-7-13/h3-9,11-12,14,16H,10H2,1-2H3,(H,20,21,23,24)/i2D
InChIKeyMPCBZTZKXQCYAX-VMNATFBRSA-N
XLogP2.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 58060700
N-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide
CID 131851594
N-[1-(4-fluoro-6-methyl-5-oxo-2H-pyran-2-yl)-2-oxopyrimidin-4-yl]benzamide
CID 45102696
N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 165030937
N-[1-[(2R,4S)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 504298
[(2S,3S,4R,5R)-2-(4-benzamido-2-oxopyrimidin-1-yl)-4,5-dihydroxyoxan-3-yl] acetate
CID 52916570
[(2R,3R,4R,5R)-2-(4-benzamido-2-oxopyrimidin-1-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate
CID 66804337
N-[1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 678698
N-[1-[(2S,3R,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 10853795
[(2R,3R,4R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] benzoate
CID 59289277
N-[1-[(2R,3S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 126541466
N-[1-[(4aR,6R,7aS)-7-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-2-oxopyrimidin-4-yl]benzamide
CID 71029908

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(deuteriomethyl)-4-fluoro-5-methyloxan-3-yl]-2-oxopyrimidin-4-yl]benzamide?
The IUPAC name of N-[1-[6-(deuteriomethyl)-4-fluoro-5-methyloxan-3-yl]-2-oxopyrimidin-4-yl]benzamide (CID 58060772) is N-[1-[6-(deuteriomethyl)-4-fluoro-5-methyloxan-3-yl]-2-oxopyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[6-(deuteriomethyl)-4-fluoro-5-methyloxan-3-yl]-2-oxopyrimidin-4-yl]benzamide?
The canonical SMILES for N-[1-[6-(deuteriomethyl)-4-fluoro-5-methyloxan-3-yl]-2-oxopyrimidin-4-yl]benzamide is [2H]CC1OCC(n2ccc(NC(=O)c3ccccc3)nc2=O)C(F)C1C.
What is the InChIKey of N-[1-[6-(deuteriomethyl)-4-fluoro-5-methyloxan-3-yl]-2-oxopyrimidin-4-yl]benzamide?
The InChIKey is MPCBZTZKXQCYAX-VMNATFBRSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-11-12(2)25-10-14(16(11)19)22-9-8-15(21-18(22)24)20-17(23)13-6-4-3-5-7-13/h3-9,11-12,14,16H,10H2,1-2H3,(H,20,21,23,24)/i2D.
What are the key properties of N-[1-[6-(deuteriomethyl)-4-fluoro-5-methyloxan-3-yl]-2-oxopyrimidin-4-yl]benzamide?
N-[1-[6-(deuteriomethyl)-4-fluoro-5-methyloxan-3-yl]-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 346.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(deuteriomethyl)-4-fluoro-5-methyloxan-3-yl]-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 58060772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).