N-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanamide

C8H10FN3O3 — CID 12799737

IUPACN-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanamide
SMILESCCCC(=O)Nn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C8H10FN3O3/c1-2-3-6(13)11-12-7(14)5(9)4-10-8(12)15/h4H,2-3H2,1H3,(H,10,15)(H,11,13)
InChIKeySAVBTPSHCMNKFU-UHFFFAOYSA-N
MW215.18 g/mol
LogP-0.45
Rot. Bonds3

About N-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanamide

N-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanamide (PubChem CID 12799737) has the molecular formula C8H10FN3O3 and a molecular weight of 215.18 g/mol. Its IUPAC name is N-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanamide
PubChem CID12799737
Molecular FormulaC8H10FN3O3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC NameN-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanamide
SMILESCCCC(=O)Nn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C8H10FN3O3/c1-2-3-6(13)11-12-7(14)5(9)4-10-8(12)15/h4H,2-3H2,1H3,(H,10,15)(H,11,13)
InChIKeySAVBTPSHCMNKFU-UHFFFAOYSA-N
XLogP-0.45
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Thyminylputrescine
CID 54537159
3-amino-5-fluoro-1H-pyrimidine-2,4-dione
CID 12799379
1-(Ethylamino)-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 91608336
5-Fluoro-1-(methylamino)pyrimidine-2,4-dione
CID 137532650
(N-methyl-N-acetyl)-aminouracil
CID 129778413
N-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
CID 45119209
4-(5-Fluoro-2,4-dioxopyrimidin-1-yl)butanehydrazide
CID 63578905
N-(2,4-dioxopyrimidin-1-yl)-2-methylpropanamide
CID 18473528
1-(Ethylamino)pyrimidine-2,4-dione
CID 19011867
1-(Pentylamino)pyrimidine-2,4-dione
CID 67923381
N-(2,4-dioxo-1H-pyrimidin-3-yl)-2-methylpropanamide
CID 69965025
5-Methyl-1-(prop-2-enylamino)pyrimidine-2,4-dione
CID 117970016

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanamide?
The IUPAC name of N-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanamide (CID 12799737) is N-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanamide.
What is the SMILES notation for N-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanamide?
The canonical SMILES for N-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanamide is CCCC(=O)Nn1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of N-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanamide?
The InChIKey is SAVBTPSHCMNKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3/c1-2-3-6(13)11-12-7(14)5(9)4-10-8(12)15/h4H,2-3H2,1H3,(H,10,15)(H,11,13).
What are the key properties of N-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanamide?
N-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanamide has a molecular weight of 215.18 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanamide is sourced from PubChem (CID 12799737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).