N-[5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]cyclohexanecarboxamide

C15H20FN3O5 — CID 10172163

IUPACN-[5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nc(=O)n([C@H]2CO[C@@H](CO)O2)cc1F)C1CCCCC1
InChIInChI=1S/C15H20FN3O5/c16-10-6-19(11-8-23-12(7-20)24-11)15(22)18-13(10)17-14(21)9-4-2-1-3-5-9/h6,9,11-12,20H,1-5,7-8H2,(H,17,18,21,22)/t11-,12-/m1/s1
InChIKeyBSCSBBDQQHSVLK-VXGBXAGGSA-N
MW341.34 g/mol
LogP0.76
Rot. Bonds4

About N-[5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]cyclohexanecarboxamide

N-[5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]cyclohexanecarboxamide (PubChem CID 10172163) has the molecular formula C15H20FN3O5 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]cyclohexanecarboxamide
PubChem CID10172163
Molecular FormulaC15H20FN3O5
Molecular Weight341.34 g/mol
Exact Mass341.14
IUPAC NameN-[5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nc(=O)n([C@H]2CO[C@@H](CO)O2)cc1F)C1CCCCC1
InChIInChI=1S/C15H20FN3O5/c16-10-6-19(11-8-23-12(7-20)24-11)15(22)18-13(10)17-14(21)9-4-2-1-3-5-9/h6,9,11-12,20H,1-5,7-8H2,(H,17,18,21,22)/t11-,12-/m1/s1
InChIKeyBSCSBBDQQHSVLK-VXGBXAGGSA-N
XLogP0.76
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]cyclohexanecarboxamide (CID 10172163) is N-[5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]cyclohexanecarboxamide is O=C(Nc1nc(=O)n([C@H]2CO[C@@H](CO)O2)cc1F)C1CCCCC1.
What is the InChIKey of N-[5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]cyclohexanecarboxamide?
The InChIKey is BSCSBBDQQHSVLK-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20FN3O5/c16-10-6-19(11-8-23-12(7-20)24-11)15(22)18-13(10)17-14(21)9-4-2-1-3-5-9/h6,9,11-12,20H,1-5,7-8H2,(H,17,18,21,22)/t11-,12-/m1/s1.
What are the key properties of N-[5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]cyclohexanecarboxamide?
N-[5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]cyclohexanecarboxamide has a molecular weight of 341.34 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 10172163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).