N-(1-adamantyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide

C15H18FN3O3 — CID 20525056

IUPACN-(1-adamantyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C15H18FN3O3/c16-11-7-19(13(21)17-12(11)20)14(22)18-15-4-8-1-9(5-15)3-10(2-8)6-15/h7-10H,1-6H2,(H,18,22)(H,17,20,21)
InChIKeyDQWUFBKXGOEIGS-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.20
Rot. Bonds1

About N-(1-adamantyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide

N-(1-adamantyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 20525056) has the molecular formula C15H18FN3O3 and a molecular weight of 307.33 g/mol. Its IUPAC name is N-(1-adamantyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
PubChem CID20525056
Molecular FormulaC15H18FN3O3
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC NameN-(1-adamantyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C15H18FN3O3/c16-11-7-19(13(21)17-12(11)20)14(22)18-15-4-8-1-9(5-15)3-10(2-8)6-15/h7-10H,1-6H2,(H,18,22)(H,17,20,21)
InChIKeyDQWUFBKXGOEIGS-UHFFFAOYSA-N
XLogP1.20
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (CID 20525056) is N-(1-adamantyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of N-(1-adamantyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is DQWUFBKXGOEIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c16-11-7-19(13(21)17-12(11)20)14(22)18-15-4-8-1-9(5-15)3-10(2-8)6-15/h7-10H,1-6H2,(H,18,22)(H,17,20,21).
What are the key properties of N-(1-adamantyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
N-(1-adamantyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 307.33 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 20525056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).