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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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).