2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine

C11H18F3N5 — CID 114567205

IUPAC2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)CCCNc1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C11H18F3N5/c1-7(2)4-3-5-16-9-6-8(11(12,13)14)17-10(18-9)19-15/h6-7H,3-5,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyWPWRSLUAKCBEOH-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.63
Rot. Bonds6

About 2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine

2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114567205) has the molecular formula C11H18F3N5 and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114567205
Molecular FormulaC11H18F3N5
Molecular Weight277.29 g/mol
Exact Mass277.15
IUPAC Name2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)CCCNc1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C11H18F3N5/c1-7(2)4-3-5-16-9-6-8(11(12,13)14)17-10(18-9)19-15/h6-7H,3-5,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyWPWRSLUAKCBEOH-UHFFFAOYSA-N
XLogP2.63
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043678
2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567470
N-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 106012981
2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567594
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 114567617
N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine
CID 114567188
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 114567304
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114567616
2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114169698
N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566995
4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 114567567
4-N-(3,3-dimethylbutyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565969

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 114567205) is 2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine is CC(C)CCCNc1cc(C(F)(F)F)nc(NN)n1.
What is the InChIKey of 2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WPWRSLUAKCBEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5/c1-7(2)4-3-5-16-9-6-8(11(12,13)14)17-10(18-9)19-15/h6-7H,3-5,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 277.29 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114567205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).