1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol

C9H14F3N5O — CID 114567616

IUPAC1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
SMILESCCC(O)CNc1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C9H14F3N5O/c1-2-5(18)4-14-7-3-6(9(10,11)12)15-8(16-7)17-13/h3,5,18H,2,4,13H2,1H3,(H2,14,15,16,17)
InChIKeyHXMFBRXWDNRIKH-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.96
Rot. Bonds5

About 1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol

1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol (PubChem CID 114567616) has the molecular formula C9H14F3N5O and a molecular weight of 265.24 g/mol. Its IUPAC name is 1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
PubChem CID114567616
Molecular FormulaC9H14F3N5O
Molecular Weight265.24 g/mol
Exact Mass265.12
IUPAC Name1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
SMILESCCC(O)CNc1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C9H14F3N5O/c1-2-5(18)4-14-7-3-6(9(10,11)12)15-8(16-7)17-13/h3,5,18H,2,4,13H2,1H3,(H2,14,15,16,17)
InChIKeyHXMFBRXWDNRIKH-UHFFFAOYSA-N
XLogP0.96
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.96
H-Bond Donors ≤ 54
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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Related Compounds

1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 114567617
2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567470
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114562913
2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567594
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 114567304
4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 114567567
2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114169698
2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567205
N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine
CID 114567188
3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 114565499
N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043678
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564072

Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol?
The IUPAC name of 1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol (CID 114567616) is 1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol?
The canonical SMILES for 1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol is CCC(O)CNc1cc(C(F)(F)F)nc(NN)n1.
What is the InChIKey of 1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol?
The InChIKey is HXMFBRXWDNRIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O/c1-2-5(18)4-14-7-3-6(9(10,11)12)15-8(16-7)17-13/h3,5,18H,2,4,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol?
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol has a molecular weight of 265.24 g/mol, XLogP of 0.96, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 114567616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).