6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

C13H20F3N5 — CID 106775566

IUPAC6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1CCCCC1CNc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C13H20F3N5/c1-8-4-2-3-5-9(8)7-18-10-6-11(21-17)20-12(19-10)13(14,15)16/h6,8-9H,2-5,7,17H2,1H3,(H2,18,19,20,21)
InChIKeyDXKJCZQIFMAOFQ-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.02
Rot. Bonds4

About 6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775566) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775566
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1CCCCC1CNc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C13H20F3N5/c1-8-4-2-3-5-9(8)7-18-10-6-11(21-17)20-12(19-10)13(14,15)16/h6,8-9H,2-5,7,17H2,1H3,(H2,18,19,20,21)
InChIKeyDXKJCZQIFMAOFQ-UHFFFAOYSA-N
XLogP3.02
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80964097
2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106775780
N-(cyclopentylmethyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775333
[2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 106775857
6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775909
6-hydrazinyl-N-(2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775688
[2-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 106772357
2-hydrazinyl-6-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107421322
6-hydrazinyl-N-(2-methylcyclopropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775639
2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine
CID 80815452
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine
CID 80964314
N-(2,6-dimethylpiperidin-1-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106776089

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775566) is 6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is CC1CCCCC1CNc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of 6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DXKJCZQIFMAOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c1-8-4-2-3-5-9(8)7-18-10-6-11(21-17)20-12(19-10)13(14,15)16/h6,8-9H,2-5,7,17H2,1H3,(H2,18,19,20,21).
What are the key properties of 6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 303.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).