[4-methyl-5-nitro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine

C8H10F3N5O3 — CID 114045195

IUPAC[4-methyl-5-nitro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine
SMILESCc1nc(NN)nc(OC(C)C(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H10F3N5O3/c1-3-5(16(17)18)6(14-7(13-3)15-12)19-4(2)8(9,10)11/h4H,12H2,1-2H3,(H,13,14,15)
InChIKeyLBUPCPLBBNHPPI-UHFFFAOYSA-N
MW281.19 g/mol
LogP1.31
Rot. Bonds4

About [4-methyl-5-nitro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine

[4-methyl-5-nitro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine (PubChem CID 114045195) has the molecular formula C8H10F3N5O3 and a molecular weight of 281.19 g/mol. Its IUPAC name is [4-methyl-5-nitro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-methyl-5-nitro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine
PubChem CID114045195
Molecular FormulaC8H10F3N5O3
Molecular Weight281.19 g/mol
Exact Mass281.07
IUPAC Name[4-methyl-5-nitro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine
SMILESCc1nc(NN)nc(OC(C)C(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H10F3N5O3/c1-3-5(16(17)18)6(14-7(13-3)15-12)19-4(2)8(9,10)11/h4H,12H2,1-2H3,(H,13,14,15)
InChIKeyLBUPCPLBBNHPPI-UHFFFAOYSA-N
XLogP1.31
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine
CID 80922585
N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
CID 114045065
2-hydrazinyl-N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyrimidin-4-amine
CID 114045068
[4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336356
N-hexan-2-yl-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
CID 114045013
1,1-difluoro-3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propan-2-ol
CID 114094055
2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine
CID 114045206
methyl 3-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)sulfanylpropanoate
CID 114045253
1-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-ol
CID 114045121
3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163701
[4-propoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine
CID 80923867
[4-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-yl]hydrazine
CID 114045260

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-nitro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-methyl-5-nitro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine (CID 114045195) is [4-methyl-5-nitro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-methyl-5-nitro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-methyl-5-nitro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine is Cc1nc(NN)nc(OC(C)C(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of [4-methyl-5-nitro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine?
The InChIKey is LBUPCPLBBNHPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5O3/c1-3-5(16(17)18)6(14-7(13-3)15-12)19-4(2)8(9,10)11/h4H,12H2,1-2H3,(H,13,14,15).
What are the key properties of [4-methyl-5-nitro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine?
[4-methyl-5-nitro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine has a molecular weight of 281.19 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-nitro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114045195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).