5-fluoro-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidine-2,4-dione

C10H10FN5O2 — CID 63559395

IUPAC5-fluoro-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidine-2,4-dione
SMILESNNc1cc(Cn2cc(F)c(=O)[nH]c2=O)ccn1
InChIInChI=1S/C10H10FN5O2/c11-7-5-16(10(18)14-9(7)17)4-6-1-2-13-8(3-6)15-12/h1-3,5H,4,12H2,(H,13,15)(H,14,17,18)
InChIKeyJKGKEKCKDUKYRL-UHFFFAOYSA-N
MW251.22 g/mol
LogP-0.60
Rot. Bonds3

About 5-fluoro-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidine-2,4-dione

5-fluoro-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidine-2,4-dione (PubChem CID 63559395) has the molecular formula C10H10FN5O2 and a molecular weight of 251.22 g/mol. Its IUPAC name is 5-fluoro-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidine-2,4-dione
PubChem CID63559395
Molecular FormulaC10H10FN5O2
Molecular Weight251.22 g/mol
Exact Mass251.08
IUPAC Name5-fluoro-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidine-2,4-dione
SMILESNNc1cc(Cn2cc(F)c(=O)[nH]c2=O)ccn1
InChIInChI=1S/C10H10FN5O2/c11-7-5-16(10(18)14-9(7)17)4-6-1-2-13-8(3-6)15-12/h1-3,5H,4,12H2,(H,13,15)(H,14,17,18)
InChIKeyJKGKEKCKDUKYRL-UHFFFAOYSA-N
XLogP-0.60
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidine-2,4-dione (CID 63559395) is 5-fluoro-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidine-2,4-dione is NNc1cc(Cn2cc(F)c(=O)[nH]c2=O)ccn1.
What is the InChIKey of 5-fluoro-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidine-2,4-dione?
The InChIKey is JKGKEKCKDUKYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O2/c11-7-5-16(10(18)14-9(7)17)4-6-1-2-13-8(3-6)15-12/h1-3,5H,4,12H2,(H,13,15)(H,14,17,18).
What are the key properties of 5-fluoro-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidine-2,4-dione?
5-fluoro-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidine-2,4-dione has a molecular weight of 251.22 g/mol, XLogP of -0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63559395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).