N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine

C12H20F3N5 — CID 106775723

IUPACN-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(CC)C(C)Nc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C12H20F3N5/c1-4-8(5-2)7(3)17-9-6-10(20-16)19-11(18-9)12(13,14)15/h6-8H,4-5,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyGVVBSBPARLOJRY-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.02
Rot. Bonds6

About N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine

N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775723) has the molecular formula C12H20F3N5 and a molecular weight of 291.32 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775723
Molecular FormulaC12H20F3N5
Molecular Weight291.32 g/mol
Exact Mass291.17
IUPAC NameN-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(CC)C(C)Nc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C12H20F3N5/c1-4-8(5-2)7(3)17-9-6-10(20-16)19-11(18-9)12(13,14)15/h6-8H,4-5,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyGVVBSBPARLOJRY-UHFFFAOYSA-N
XLogP3.02
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
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

3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163726
4-N-(3-methylpentan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771174
N-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775326
2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 106775480
4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769922
6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775355
6-hydrazinyl-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775982
[6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776574
6-hydrazinyl-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106776198
6-hydrazinyl-N-methyl-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775973
6-hydrazinyl-2-(trifluoromethyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 106775571
6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106294493

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775723) is N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is CCC(CC)C(C)Nc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is GVVBSBPARLOJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5/c1-4-8(5-2)7(3)17-9-6-10(20-16)19-11(18-9)12(13,14)15/h6-8H,4-5,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 291.32 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).