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

C16H20FN3O3 — CID 20525096

IUPACN-(1-adamantylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C16H20FN3O3/c17-12-7-20(15(23)19-13(12)21)14(22)18-8-16-4-9-1-10(5-16)3-11(2-9)6-16/h7,9-11H,1-6,8H2,(H,18,22)(H,19,21,23)
InChIKeyHODIRPLYYZJHAZ-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.45
Rot. Bonds2

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

N-(1-adamantylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 20525096) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
PubChem CID20525096
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC NameN-(1-adamantylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C16H20FN3O3/c17-12-7-20(15(23)19-13(12)21)14(22)18-8-16-4-9-1-10(5-16)3-11(2-9)6-16/h7,9-11H,1-6,8H2,(H,18,22)(H,19,21,23)
InChIKeyHODIRPLYYZJHAZ-UHFFFAOYSA-N
XLogP1.45
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 20525056
5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide
CID 53380026
N-[(2,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 10830193
N-[2-(2-cyanoethylsulfanyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 20525088
N-cyclohex-3-en-1-yl-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 10729535
5-fluoro-N-(3-methoxycyclohexyl)-2,4-dioxopyrimidine-1-carboxamide
CID 10803042
5-fluoro-2,4-dioxo-N-[(pyridine-3-carbonylamino)methyl]pyrimidine-1-carboxamide
CID 88642874
N-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide
CID 8669555
[4-[1-(1-adamantylmethyl)piperidin-4-yl]phenyl] (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl carbonate
CID 175963007
N-(1-adamantylmethyl)-5-fluoro-2-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 164578326
N-(1-adamantylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 3498003
N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide
CID 108870375

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (CID 20525096) is N-(1-adamantylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of N-(1-adamantylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is HODIRPLYYZJHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c17-12-7-20(15(23)19-13(12)21)14(22)18-8-16-4-9-1-10(5-16)3-11(2-9)6-16/h7,9-11H,1-6,8H2,(H,18,22)(H,19,21,23).
What are the key properties of N-(1-adamantylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
N-(1-adamantylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 321.35 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 20525096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).