2-[1-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol

C11H16F3N5O — CID 106776218

IUPAC2-[1-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
SMILESNNc1cc(NCC2(CCO)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)9-17-7(5-8(18-9)19-15)16-6-10(1-2-10)3-4-20/h5,20H,1-4,6,15H2,(H2,16,17,18,19)
InChIKeySCICCJBTMOANNM-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.36
Rot. Bonds6

About 2-[1-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol

2-[1-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol (PubChem CID 106776218) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-[1-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
PubChem CID106776218
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name2-[1-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
SMILESNNc1cc(NCC2(CCO)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)9-17-7(5-8(18-9)19-15)16-6-10(1-2-10)3-4-20/h5,20H,1-4,6,15H2,(H2,16,17,18,19)
InChIKeySCICCJBTMOANNM-UHFFFAOYSA-N
XLogP1.36
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.36
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

N-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 114102594
[2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 106775857
N-(cyclopentylmethyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775333
6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106294493
2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106775780
2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
CID 106776341
6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775511
2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 114759552
2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 114759513
3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol
CID 106776344
1-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 106772295
N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775903

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol (CID 106776218) is 2-[1-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol is NNc1cc(NCC2(CCO)CC2)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[1-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol?
The InChIKey is SCICCJBTMOANNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c12-11(13,14)9-17-7(5-8(18-9)19-15)16-6-10(1-2-10)3-4-20/h5,20H,1-4,6,15H2,(H2,16,17,18,19).
What are the key properties of 2-[1-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol?
2-[1-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol has a molecular weight of 291.28 g/mol, XLogP of 1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 106776218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).