1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol

C9H14F3N5O — CID 114567175

IUPAC1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C9H14F3N5O/c1-5(18)4-17(2)7-3-6(9(10,11)12)14-8(15-7)16-13/h3,5,18H,4,13H2,1-2H3,(H,14,15,16)
InChIKeyFAZSEBHMQPHUNI-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.60
Rot. Bonds4

About 1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol

1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol (PubChem CID 114567175) 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]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol
PubChem CID114567175
Molecular FormulaC9H14F3N5O
Molecular Weight265.24 g/mol
Exact Mass265.12
IUPAC Name1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C9H14F3N5O/c1-5(18)4-17(2)7-3-6(9(10,11)12)14-8(15-7)16-13/h3,5,18H,4,13H2,1-2H3,(H,14,15,16)
InChIKeyFAZSEBHMQPHUNI-UHFFFAOYSA-N
XLogP0.60
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.60
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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Related Compounds

1-[methyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564867
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-2-ol
CID 102720682
N-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567101
N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106918664
4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 114567567
N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566983
2-hydrazinyl-N-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566951
1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 114567378
2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567025
N-methyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 114564053
N-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567157
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 114564590

Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol (CID 114567175) is 1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol is CC(O)CN(C)c1cc(C(F)(F)F)nc(NN)n1.
What is the InChIKey of 1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol?
The InChIKey is FAZSEBHMQPHUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O/c1-5(18)4-17(2)7-3-6(9(10,11)12)14-8(15-7)16-13/h3,5,18H,4,13H2,1-2H3,(H,14,15,16).
What are the key properties of 1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol?
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol has a molecular weight of 265.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 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]-methylamino]propan-2-ol is sourced from PubChem (CID 114567175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).