2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one

C10H9F3N6OS — CID 136802791

IUPAC2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Sc2cc(NN)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H9F3N6OS/c1-4-2-6(20)17-9(15-4)21-7-3-5(19-14)16-8(18-7)10(11,12)13/h2-3H,14H2,1H3,(H,15,17,20)(H,16,18,19)
InChIKeyOYSCLUCCIIRUNS-UHFFFAOYSA-N
MW318.28 g/mol
LogP1.32
Rot. Bonds3

About 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one

2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 136802791) has the molecular formula C10H9F3N6OS and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
PubChem CID136802791
Molecular FormulaC10H9F3N6OS
Molecular Weight318.28 g/mol
Exact Mass318.05
IUPAC Name2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Sc2cc(NN)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H9F3N6OS/c1-4-2-6(20)17-9(15-4)21-7-3-5(19-14)16-8(18-7)10(11,12)13/h2-3H,14H2,1H3,(H,15,17,20)(H,16,18,19)
InChIKeyOYSCLUCCIIRUNS-UHFFFAOYSA-N
XLogP1.32
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.32
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one (CID 136802791) is 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Sc2cc(NN)nc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is OYSCLUCCIIRUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N6OS/c1-4-2-6(20)17-9(15-4)21-7-3-5(19-14)16-8(18-7)10(11,12)13/h2-3H,14H2,1H3,(H,15,17,20)(H,16,18,19).
What are the key properties of 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 318.28 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136802791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).