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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-adamantylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 20525096
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-(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
1-(1-adamantyl)-3-(3,5-difluoro-4-hydroxyphenyl)urea
CID 22932395
1-(5-bromopentanoyl)-5-fluoropyrimidine-2,4-dione
CID 125478680
N-(1-adamantyl)-2-fluoro-6-hydroxybenzamide
CID 104916407
N-(1-adamantyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103337054
N-(1-adamantyl)phenothiazine-10-carboxamide
CID 3253193
N-[2-(2-cyanoethylsulfanyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 20525088
N-(1-adamantyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261645

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).