[2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol

C12H18F3N5O — CID 106775857

IUPAC[2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
SMILESNNc1cc(NCC2CCCC2CO)nc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)11-18-9(4-10(19-11)20-16)17-5-7-2-1-3-8(7)6-21/h4,7-8,21H,1-3,5-6,16H2,(H2,17,18,19,20)
InChIKeyPCVLKXQEQJFEEF-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.60
Rot. Bonds5

About [2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol

[2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol (PubChem CID 106775857) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is [2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
PubChem CID106775857
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name[2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
SMILESNNc1cc(NCC2CCCC2CO)nc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)11-18-9(4-10(19-11)20-16)17-5-7-2-1-3-8(7)6-21/h4,7-8,21H,1-3,5-6,16H2,(H2,17,18,19,20)
InChIKeyPCVLKXQEQJFEEF-UHFFFAOYSA-N
XLogP1.60
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.60
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

[2-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 106772357
2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106775780
6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775566
N-(cyclopentylmethyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775333
[2-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 80937943
[2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol
CID 102716000
6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775909
[2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80951232
2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80964097
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine
CID 80964314
[2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80855981
[2-[[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80959887

Frequently Asked Questions

What is the IUPAC name of [2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol (CID 106775857) is [2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol is NNc1cc(NCC2CCCC2CO)nc(C(F)(F)F)n1.
What is the InChIKey of [2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
The InChIKey is PCVLKXQEQJFEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c13-12(14,15)11-18-9(4-10(19-11)20-16)17-5-7-2-1-3-8(7)6-21/h4,7-8,21H,1-3,5-6,16H2,(H2,17,18,19,20).
What are the key properties of [2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
[2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol has a molecular weight of 305.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 106775857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).