N'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine

C11H19F3N6 — CID 106775714

IUPACN'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C11H19F3N6/c1-19(2)5-4-6-20(3)9-7-8(18-15)16-10(17-9)11(12,13)14/h7H,4-6,15H2,1-3H3,(H,16,17,18)
InChIKeyUKWQQGPXPDYCJT-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.17
Rot. Bonds6

About N'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 106775714) has the molecular formula C11H19F3N6 and a molecular weight of 292.31 g/mol. Its IUPAC name is N'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID106775714
Molecular FormulaC11H19F3N6
Molecular Weight292.31 g/mol
Exact Mass292.16
IUPAC NameN'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C11H19F3N6/c1-19(2)5-4-6-20(3)9-7-8(18-15)16-10(17-9)11(12,13)14/h7H,4-6,15H2,1-3H3,(H,16,17,18)
InChIKeyUKWQQGPXPDYCJT-UHFFFAOYSA-N
XLogP1.17
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
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

6-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775663
6-hydrazinyl-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775982
N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775417
6-hydrazinyl-N-methyl-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775973
2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80968252
2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80957496
6-N-ethyl-4-N-methyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770662
N-cyclopropyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]acetamide
CID 106775558
4-N-butyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769909
N-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775326
3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 106775569
N-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
CID 102721008

Frequently Asked Questions

What is the IUPAC name of N'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine (CID 106775714) is N'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)c1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of N'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is UKWQQGPXPDYCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N6/c1-19(2)5-4-6-20(3)9-7-8(18-15)16-10(17-9)11(12,13)14/h7H,4-6,15H2,1-3H3,(H,16,17,18).
What are the key properties of N'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 292.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 106775714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).