N-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

C13H11FN4O3 — CID 44724108

IUPACN-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCn1c(=O)cc(C(=O)N/N=C/c2ccccc2F)[nH]c1=O
InChIInChI=1S/C13H11FN4O3/c1-18-11(19)6-10(16-13(18)21)12(20)17-15-7-8-4-2-3-5-9(8)14/h2-7H,1H3,(H,16,21)(H,17,20)/b15-7+
InChIKeyBTBCEWGZNRYUHS-VIZOYTHASA-N
MW290.25 g/mol
LogP-0.02
Rot. Bonds3

About N-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 44724108) has the molecular formula C13H11FN4O3 and a molecular weight of 290.25 g/mol. Its IUPAC name is N-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID44724108
Molecular FormulaC13H11FN4O3
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC NameN-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCn1c(=O)cc(C(=O)N/N=C/c2ccccc2F)[nH]c1=O
InChIInChI=1S/C13H11FN4O3/c1-18-11(19)6-10(16-13(18)21)12(20)17-15-7-8-4-2-3-5-9(8)14/h2-7H,1H3,(H,16,21)(H,17,20)/b15-7+
InChIKeyBTBCEWGZNRYUHS-VIZOYTHASA-N
XLogP-0.02
TPSA96.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-fluorophenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110525467
N-[[4-(diethylamino)phenyl]methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 4991880
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
CID 156600169
N-[(E)-(2-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6897161
3-(4-fluorophenyl)-N-[(2-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4563206
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6890815
N-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893755
N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 135684068
N-[(Z)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5412703

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 44724108) is N-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is Cn1c(=O)cc(C(=O)N/N=C/c2ccccc2F)[nH]c1=O.
What is the InChIKey of N-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is BTBCEWGZNRYUHS-VIZOYTHASA-N. The full InChI is InChI=1S/C13H11FN4O3/c1-18-11(19)6-10(16-13(18)21)12(20)17-15-7-8-4-2-3-5-9(8)14/h2-7H,1H3,(H,16,21)(H,17,20)/b15-7+.
What are the key properties of N-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 290.25 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 44724108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).