5-fluoro-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrimidine-2,4-dione

C10H11FN6O2 — CID 80656450

IUPAC5-fluoro-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrimidine-2,4-dione
SMILESCc1cc(NN)nc(Cn2cc(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H11FN6O2/c1-5-2-7(16-12)14-8(13-5)4-17-3-6(11)9(18)15-10(17)19/h2-3H,4,12H2,1H3,(H,13,14,16)(H,15,18,19)
InChIKeyBTQDBTXJBLIJKE-UHFFFAOYSA-N
MW266.24 g/mol
LogP-0.89
Rot. Bonds3

About 5-fluoro-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrimidine-2,4-dione

5-fluoro-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrimidine-2,4-dione (PubChem CID 80656450) has the molecular formula C10H11FN6O2 and a molecular weight of 266.24 g/mol. Its IUPAC name is 5-fluoro-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrimidine-2,4-dione
PubChem CID80656450
Molecular FormulaC10H11FN6O2
Molecular Weight266.24 g/mol
Exact Mass266.09
IUPAC Name5-fluoro-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrimidine-2,4-dione
SMILESCc1cc(NN)nc(Cn2cc(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H11FN6O2/c1-5-2-7(16-12)14-8(13-5)4-17-3-6(11)9(18)15-10(17)19/h2-3H,4,12H2,1H3,(H,13,14,16)(H,15,18,19)
InChIKeyBTQDBTXJBLIJKE-UHFFFAOYSA-N
XLogP-0.89
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-fluoro-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

A-690344
CID 9806160
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-5-fluoro-4-hydroxypyrimidin-2(1H)-one
CID 10390058
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-hydroxypyrimidin-2(1H)-one
CID 10456628
5-Fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione
CID 719067
1-((2E)-4-{4-[2-tert-Butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}-2-methylbut-2-en-1-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
CID 10096689
1-[(E)-4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylbut-2-enyl]pyrimidine-2,4-dione
CID 67374049
1-[4-[4-[2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylbut-2-enyl]pyrimidine-2,4-dione
CID 67374052
1-[4-[4-[2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylbut-2-enyl]-5-methylpyrimidine-2,4-dione
CID 67374281
5-(difluoromethyl)-2-(2,6-dimethylpyrimidin-4-yl)-1H-pyrazol-3-one
CID 79822824
1-[[4-(Ethylamino)-6-methylpyrimidin-2-yl]methyl]-5-fluoropyrimidine-2,4-dione
CID 80654751
1-[(4-Amino-6-methylpyrimidin-2-yl)methyl]-5-fluoropyrimidine-2,4-dione
CID 80654827
5-Fluoro-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione
CID 80654905

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrimidine-2,4-dione (CID 80656450) is 5-fluoro-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrimidine-2,4-dione is Cc1cc(NN)nc(Cn2cc(F)c(=O)[nH]c2=O)n1.
What is the InChIKey of 5-fluoro-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is BTQDBTXJBLIJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN6O2/c1-5-2-7(16-12)14-8(13-5)4-17-3-6(11)9(18)15-10(17)19/h2-3H,4,12H2,1H3,(H,13,14,16)(H,15,18,19).
What are the key properties of 5-fluoro-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrimidine-2,4-dione?
5-fluoro-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 266.24 g/mol, XLogP of -0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 80656450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).